Sugi Predict

Sugi Predict / Compounds / SCHEMBL1604572

SCHEMBL1604572

SCHEMBL1604572

CC(C)Cc1cc2c(O)ncnc2s1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 6/20 0.44
▸ VCAM1 P19320 6/20 0.44
▸ KDM4E B2RXH2 4/20 0.43
▸ TSHR P16473 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ P2RY12 Q9H244 1/20 0.40
▸ HTT P42858 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HRH4 Q9H3N8 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ICAM1 P05362 5/20 0.36

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
SCHEMBL10325022 0.81 SELE (0.65) SELEVCAM1KDM4ETSHRCYP1A2
SCHEMBL1604838 0.81 SELE (0.69) SELEVCAM1KDM4ETSHRCYP1A2
SCHEMBL15111170 0.75 SELE (0.41) SELEVCAM1KDM4ETSHRCYP1A2
SCHEMBL440663 0.75 MEN1 (0.44) SELEVCAM1KDM4ETSHRCYP1A2
SCHEMBL439234 0.72 FGFR1 (0.54) MEN1KMT2AHTTSMN1; SMN2LMNA
SCHEMBL1604052 0.69 MEN1 (0.70) KDM4ETSHRCYP1A2ALDH1A1MEN1
SCHEMBL5441280 0.69 ICAM1 (0.59) SELEVCAM1KDM4ETSHRCYP1A2
SCHEMBL1192721 0.68 EGFR (0.49) KDM4ETSHRCYP1A2CYP2C9MEN1
SCHEMBL27697480 0.68 ICAM1 (0.46) SELEVCAM1KDM4ETSHRCYP1A2
SCHEMBL2235910 0.67 GABRA1 (0.37) KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622914-B1 NEW PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS TROVIS PHARMACEUTICALS LLC (US) 2011-06-01 — — EP 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
US-20110082157-A1 Piperidinylamino-Thieno [2,3-D] Pyrimidine Compounds TROVIS PHARMACEUTICALS, LLC 2011-04-07 — — US 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-20100113485-A1 Piperidinylamino-thieno[2,3-D] Pyrimidine Compounds TROVIS PHARMACEUTICALS, LLC 2010-05-06 — — US disclosed
US-20100113485-A1 Piperidinylamino-thieno[2,3-D] Pyrimidine Compounds TROVIS PHARMACEUTICALS, LLC 2010-05-06 — — US disclosed
US-20100113485-A1 Piperidinylamino-thieno[2,3-D] Pyrimidine Compounds TROVIS PHARMACEUTICALS, LLC 2010-05-06 — — US disclosed
US-7612078-B2 Piperidinylamino-thieno[2,3-D] pyrimidine compounds EPIX DELAWARE, INC. (US) 2009-11-03 — — US disclosed
CN-101048412-A Piperidinylamino-thieno [2, 3-D ] pyrimidine compounds EPIX DELAWARE INC (US) 2007-10-03 — — CN disclosed
EP-1797099-A1 PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS Epix Delaware, Inc. (US) 2007-06-20 — — EP disclosed
CN-1777612-A New piperidinylamino-thieno[2,3-d] pyrimidine compounds PREDIX PHARMACEUTICALS HOLDING (US) 2006-05-24 — — CN 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
EP-1622914-A2 NEW PIPERIDINYLAMINO-THIENO 2,3-D PYRIMIDINE COMPOUNDS Predix Pharmaceuticals Holdings, Inc. (US) 2006-02-08 — — EP 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
WO-2004089312-A2 NEW PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS PREDIX PHARMACEUTICALS HOLDINGS, INC. (US) 2004-10-21 — — WO 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 (5 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-20050222175-A1 New piperidinylamino-thieno[2,3-D] pyrimidine compounds HTR5A, HTR3A, HTR1A SELE 3876/4885VCAM1 2111/4885KDM4E 4569/4885
US-20040248904-A1 New piperidinylamino-thieno[2,3-d] pyrimidine compounds HTR5A, HTR2C, HTR1A SELE 3547/4885VCAM1 2658/4885KDM4E 4209/4885
US-20100113485-A1 Piperidinylamino-thieno[2,3-D] Pyrimidine Compounds HTR2B, HTR3B, HTR1B SELE 4568/4885VCAM1 2070/4885KDM4E 3109/4885
US-20050222176-A1 Piperidinylamino-thieno[2,3-D] pyrimidine compounds HTR2B, HTR3B, HTR1B SELE 4568/4885VCAM1 2070/4885KDM4E 3109/4885
US-20110082157-A1 Piperidinylamino-Thieno [2,3-D] Pyrimidine Compounds HTR5A, HTR3A, HTR1A SELE 3800/4885VCAM1 2139/4885KDM4E 4614/4885

“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.