SCHEMBL1604907

SCHEMBL1604907

CCc1csc(N)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
MAPK1 P28482 3/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DAO P14920 1/20 0.40
PRKCZ Q05513 7/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 5/20 0.39
MAPT P10636 5/20 0.38
ALOX15 P16050 3/20 0.38
GAA P10253 2/20 0.38
MPI P34949 1/20 0.38
USP2 O75604 1/20 0.38
KEAP1 Q14145 1/20 0.38
ADORA1 P30542 2/20 0.38
TDP1 Q9NUW8 2/20 0.37
RECQL P46063 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5278960 0.85 GABRP (0.45) ALDH1A1MAPK1POLBSMN1; SMN2HSD17B10
SCHEMBL22193213 0.84 ALDH1A1 (0.47) ALDH1A1MAPK1POLBSMN1; SMN2PRKCZ
SCHEMBL15743164 0.84 ALDH1A1 (0.41) ALDH1A1MAPK1POLBSMN1; SMN2PRKCZ
SCHEMBL8188113 0.80 ALDH1A1 (0.52) ALDH1A1MAPK1POLBSMN1; SMN2PRKCZ
SCHEMBL10711429 0.79 ALDH1A1 (0.55) ALDH1A1MAPK1POLBSMN1; SMN2PRKCZ
SCHEMBL10532585 0.78 ALDH1A1 (0.75) ALDH1A1MAPK1POLBSMN1; SMN2PRKCZ
SCHEMBL19644234 0.78 POLB (0.44) ALDH1A1MAPK1POLBSMN1; SMN2DAO
SCHEMBL3900143 0.77 ALDH1A1 (0.50) ALDH1A1POLBPRKCZMEN1KMT2A
SCHEMBL2001851 0.76 TSHR (0.44) ALDH1A1SMN1; SMN2DAOMEN1KMT2A
SCHEMBL190089 0.75 ALDH1A1 (0.41) ALDH1A1MAPK1POLBSMN1; SMN2DAO

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078214-B2 Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2021-08-03 US disclosed
US-20200079788-A1 MONOCYCLIC THIENO, PYRIDO, AND PYRROLO PYRIMIDINE COMPOUNDS AND METHODS OF USE AND MANUFACTURE OF SAME DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2020-03-12 US disclosed
US-10457688-B2 Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2019-10-29 US disclosed
US-20180265520-A1 MONOCYCLIC THIENO, PYRIDO, AND PYRROLO PYRIMIDINE COMPOUNDS AND METHODS OF USE AND MANUFACTURE OF SAME DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2018-09-20 US disclosed
US-9994586-B2 Monocyclic, thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of the same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2018-06-12 US disclosed
WO-2017031176-A1 MONOCYCLIC, THIENO, PYRIDO, AND PYRROLO PYRIMIDINE COMPOUNDS AND METHODS OF USE AND MANUFACTURE OF THE SAME DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2017-02-23 WO disclosed
US-20170050978-A1 Monocyclic, Thieno, Pyrido, and Pyrrolo Pyrimidine Compounds and Methods of Use and Manufacture of the Same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2017-02-23 US disclosed
EP-1622914-B1 NEW PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS TROVIS PHARMACEUTICALS LLC (US) 2011-06-01 EP disclosed
US-20110082157-A1 Piperidinylamino-Thieno [2,3-D] Pyrimidine Compounds TROVIS PHARMACEUTICALS, LLC 2011-04-07 US disclosed
EP-1797099-B1 PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS EPIX DELAWARE INC (US) 2010-08-11 EP disclosed
US-7030240-B2 5-HT receptor antagonist; [1-(2-Fluoro-benzyl)-piperidin-4-yl]-(5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-amine; treating vascular disorders, angina, migraine, pulmonary hypertension and systemic hypertension PREDIX PHARMACEUTICALS HOLDINGS, INC. (US) 2006-04-18 US disclosed
WO-2006034511-A1 PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS EPIX DELAWARE, INC. (US) 2006-03-30 WO disclosed
US-20050222176-A1 Piperidinylamino-thieno[2,3-D] pyrimidine compounds TROVIS PHARMACEUTICALS, LLC 2005-10-06 US disclosed
US-20050222175-A1 New piperidinylamino-thieno[2,3-D] pyrimidine compounds PGXHEALTH, LLC 2005-10-06 US disclosed
US-20040248904-A1 New piperidinylamino-thieno[2,3-d] pyrimidine compounds TROVIS PHARMACEUTICALS, LLC 2004-12-09 US disclosed
EP-1107973-B1 NOVEL THIENO[2,3-d]PYRIMIDINEDIONES, PROCESS FOR THEIR PREPARATION AND USE THEREOF IN THERAPY ASTRAZENECA AB (SE) 2003-11-05 EP disclosed
US-6300334-B1 DRUGS FOR TREATMENT OF RESPIRATORY SYSTEM DISORDERS ASTRAZENECA AB (SE) 2001-10-09 US disclosed
EP-1107973-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-06-20 EP disclosed
WO-2000012514-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-03-09 WO disclosed
US-4692461-A PLANT PROTECTION BAYER AKTIENGESELLSCHAFT (DE) 1987-09-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200079788-A1 MONOCYCLIC THIENO, PYRIDO, AND PYRROLO PYRIMIDINE COMPOUNDS AND METHODS OF USE AND MANUFACTURE OF SAME DPYD, TYMS, THPO ALDH1A1 1608/4885MAPK1 3989/4885POLB 873/4885
US-20050222175-A1 New piperidinylamino-thieno[2,3-D] pyrimidine compounds HTR5A, HTR3A, HTR1A ALDH1A1 1234/4885MAPK1 1254/4885POLB 839/4885
US-20040248904-A1 New piperidinylamino-thieno[2,3-d] pyrimidine compounds HTR5A, HTR2C, HTR1A ALDH1A1 1336/4885MAPK1 1788/4885POLB 1437/4885
US-20180265520-A1 MONOCYCLIC THIENO, PYRIDO, AND PYRROLO PYRIMIDINE COMPOUNDS AND METHODS OF USE AND MANUFACTURE OF SAME TYMS, CYP4F3, DPYD ALDH1A1 1493/4885MAPK1 4402/4885POLB 1304/4885
US-11078214-B2 Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same DPYD, TYMS, THPO ALDH1A1 1608/4885MAPK1 3989/4885POLB 873/4885
US-20050222176-A1 Piperidinylamino-thieno[2,3-D] pyrimidine compounds HTR2B, HTR3B, HTR1B ALDH1A1 1583/4885MAPK1 2155/4885POLB 1898/4885
US-20110082157-A1 Piperidinylamino-Thieno [2,3-D] Pyrimidine Compounds HTR5A, HTR3A, HTR1A ALDH1A1 1014/4885MAPK1 1292/4885POLB 804/4885
US-10457688-B2 Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same DPYD, TPX2, TYMS ALDH1A1 2459/4885MAPK1 4078/4885POLB 1305/4885
US-20170050978-A1 Monocyclic, Thieno, Pyrido, and Pyrrolo Pyrimidine Compounds and Methods of Use and Manufacture of the Same CYP4F3, TYMS, DPYD ALDH1A1 1573/4885MAPK1 4323/4885POLB 1354/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.