SCHEMBL12984658

SCHEMBL12984658

Cc1ccnn1CC(N)=O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.56
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ LMNA P02545 3/20 0.45
▸ HTT P42858 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 4/20 0.40
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.35
▸ KDM5A P29375 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL12646137 0.82 MAPK1 (0.58) MAPK1CYP1A2CYP2C19LMNAHTT
SCHEMBL2175235 0.82 MAPK1 (0.68) MAPK1CYP1A2CYP2C19LMNAHTT
SCHEMBL2827052 0.80 KDM4E (0.57) MAPK1CYP1A2CYP2C19LMNAHTT
SCHEMBL27726904 0.78 MAPK1 (0.52) MAPK1CYP1A2CYP2C19LMNAHTT
SCHEMBL13240613 0.77 MAPK1 (0.51) MAPK1CYP1A2CYP2C19LMNAHTT
SCHEMBL2823777 0.77 MAPK1 (0.51) MAPK1CYP2C19HTTALDH1A1KDM4E
SCHEMBL14108789 0.76 MAPK1 (0.39) MAPK1LMNAHTTALDH1A1KDM4E
SCHEMBL19253553 0.75 ALDH1A1 (0.41) CYP1A2LMNAALDH1A1KDM4ENPC1
SCHEMBL14547115 0.74 MAPK1 (0.49) MAPK1CYP1A2CYP2C19LMNAHTT
SCHEMBL28469060 0.74 LMNA (0.36) MAPK1LMNAKDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020200154-A1 A CLASS OF THIOPHENE FUSED N-HETEROCYCLIES, PREPARATION METHOD AND USE 上海凌达生物医药有限公司 2020-10-08 — — WO disclosed
US-20140364415-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2014-12-11 — — US disclosed
US-8846698-B2 Pyrrolo[2,3-d]pyrimidine tropomysin-related kinase inhibitors PFIZER LIMITED (US) 2014-09-30 — — US disclosed
US-20120258950-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2012-10-11 — — US disclosed
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 — — US disclosed
WO-2009153720-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 — — 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 (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-20140364415-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS DMPK, DTYMK, MUSK MAPK1 241/4885CYP1A2 3220/4885CYP2C19 2821/4885
US-20100173888-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 MAPK1 1907/4885CYP1A2 397/4885CYP2C19 302/4885
US-20120258950-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS DMPK, DTYMK, MUSK MAPK1 241/4885CYP1A2 3220/4885CYP2C19 2821/4885

“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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