SCHEMBL18540842

SCHEMBL18540842

COc1ccc(Nc2nc(C)nc3sc(C)c(C)c23)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.66
▸ SMN1; SMN2 Q16637 4/20 0.66
▸ KDM4E B2RXH2 3/20 0.66
▸ ALDH1A1 P00352 3/20 0.59
▸ MAPK1 P28482 4/20 0.49
▸ HTT P42858 2/20 0.49
▸ RAF1 P04049 2/20 0.49
▸ EGFR P00533 1/20 0.48
▸ PDGFRB P09619 1/20 0.48
▸ KDR P35968 1/20 0.48
▸ GAA P10253 4/20 0.47
▸ HPGD P15428 1/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ LMNA P02545 1/20 0.46
▸ OPRM1 P35372 1/20 0.45
▸ OPRD1 P41143 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44

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
SCHEMBL12316887 0.86 MAPT (0.56) MAPTSMN1; SMN2KDM4EALDH1A1MAPK1
SCHEMBL20659861 0.83 MAPT (0.65) MAPTSMN1; SMN2KDM4EALDH1A1MAPK1
SCHEMBL18551427 0.81 MAPT (0.59) MAPTSMN1; SMN2KDM4EALDH1A1MAPK1
Hydrochloric Acid SCHEMBL5475286 0.80 MAPT (0.53) MAPTSMN1; SMN2KDM4EALDH1A1MAPK1
SCHEMBL5467454 0.78 MAPT (0.54) MAPTSMN1; SMN2KDM4EALDH1A1MAPK1
Hydrochloric Acid SCHEMBL5462520 0.77 MAPT (0.53) MAPTSMN1; SMN2KDM4EALDH1A1MAPK1
SCHEMBL5463564 0.74 KMT2A (0.65) MAPTSMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL4785934 0.70 KDR (0.57) MAPTSMN1; SMN2KDM4EALDH1A1MAPK1
SCHEMBL17084517 0.69 KDM4E (0.84) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL14530536 0.69 EGFR (0.49) MAPTSMN1; SMN2KDM4EALDH1A1MAPK1

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 7 patents. 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-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-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
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
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

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

For each of this compound's patents that has machine-readable text (3 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-11078214-B2 Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same DPYD, TYMS, THPO MAPT 3030/4885SMN1; SMN2 2117/4885KDM4E 867/4885
US-10457688-B2 Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same DPYD, TPX2, TYMS MAPT 2052/4885SMN1; SMN2 2321/4885KDM4E 1244/4885
US-20170050978-A1 Monocyclic, Thieno, Pyrido, and Pyrrolo Pyrimidine Compounds and Methods of Use and Manufacture of the Same CYP4F3, TYMS, DPYD MAPT 3768/4885SMN1; SMN2 3459/4885KDM4E 2571/4885

“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.

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