SCHEMBL2005694

SCHEMBL2005694

Cc1cnn(-c2cccc(C)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
RECQL P46063 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CCR1 P32246 1/20 0.39
CCR8 P51685 1/20 0.39
TDO2 P48775 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.38

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
SCHEMBL4895758 0.90 KDM4E (0.49) MAPTL3MBTL1KDM4EMAPK1NPSR1
SCHEMBL26522667 0.82 TDO2 (0.44) MAPTL3MBTL1KDM4EMAPK1NPSR1
SCHEMBL16547474 0.80 ALDH1A1 (0.48) MAPTL3MBTL1KDM4EMAPK1NPSR1
SCHEMBL15330702 0.78 ALDH1A1 (0.41) MAPTL3MBTL1KDM4EMAPK1NPSR1
SCHEMBL31517585 0.78 PDE10A (0.42) MAPTL3MBTL1KDM4EHTR3EHTR3B
SCHEMBL18586335 0.78 RECQL (0.41) MAPTL3MBTL1KDM4ENPSR1HTR3E
SCHEMBL31517453 0.78 HTR3E (0.38) MAPTL3MBTL1KDM4EHTR3EHTR3B
SCHEMBL27136755 0.78 ALDH1A1 (0.47) MAPTL3MBTL1KDM4EMAPK1NPSR1
SCHEMBL15293912 0.77 KDM4E (0.42) MAPTL3MBTL1KDM4EMAPK1NPSR1
SCHEMBL31517383 0.76 IRAK4 (0.45) MAPTL3MBTL1KDM4EHTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023072301-A1 PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE COMPOUND AND MEDICAL USE THEREOF 正大天晴药业集团股份有限公司 2023-05-04 WO disclosed
US-9938289-B2 Therapeutic pyrazolyl thienopyridines FBM THERAPEUTICS, LLC (US) 2018-04-10 US disclosed
US-20160200735-A1 THERAPEUTIC PYRAZOLYL THIENOPYRIDINES THIRONA BIO, INC. 2016-07-14 US disclosed
US-9260450-B2 Therapeutic pyrazolyl thienopyridines THESAN PHARMACEUTICALS, INC. (US) 2016-02-16 US disclosed
EP-2527345-B1 Therapeutic pyrazolyl thienopyridines THESAN PHARMACEUTICALS INC (US) 2015-12-16 EP disclosed
US-9090625-B2 Therapeutic pyrazolyl thienopyridines THESAN PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-20150175624-A1 THERAPEUTIC PYRAZOLYL THIENOPYRIDINES THIRONA BIO, INC. 2015-06-25 US disclosed
US-20140031385-A1 THERAPEUTIC PYRAZOLYL THIENOPYRIDINES Medicis Phamaceutical Corporation (US) 2014-01-30 US disclosed
EP-2074128-B1 THERAPEUTIC PYRAZOLYL THIENOPYRIDINES MEDICIS PHARMACEUTICAL CORP (US) 2013-08-14 EP disclosed
US-8455512-B2 Therapeutic pyrazolyl thienopyridines MEDICIS PHARMACEUTICAL CORPORATION (US) 2013-06-04 US disclosed
US-20110224251-A1 Therapeutic Pyrazolyl Thienopyridines GRACEWAY PHARMACEUTICALS, LLC (US) 2011-09-15 US disclosed
US-7964612-B2 Therapeutic pyrazolyl thienopyridines GRACEWAY PHARMACEUTICALS, LLC (US) 2011-06-21 US disclosed
CN-101528752-A Therapeutic pyrazolyl thienopyridines PFIZER PROD INC (US) 2009-09-09 CN disclosed
EP-2074128-A1 THERAPEUTIC PYRAZOLYL THIENOPYRIDINES Pfizer Products Incorporated (US) 2009-07-01 EP disclosed
WO-2008047198-A1 THERAPEUTIC PYRAZOLYL THIENOPYRIDINES PFIZER PRODUCTS INC. (US) 2008-04-24 WO disclosed
US-20080090861-A1 Cancer and fibrotic disorders such as scarring prevention; 2-(4-methyl-1-(6-methylpyridin-2-yl)-1H-pyrazol-5-yl)thieno[2,3-c]pyridine for example; activin receptor-like kinase-5 (ALK-5) inhibitors PFIZER INC. 2008-04-17 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 (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-20140031385-A1 THERAPEUTIC PYRAZOLYL THIENOPYRIDINES TGFBR1, SMAD3, TGFBR2 MAPT 3677/4885L3MBTL1 1566/4885KDM4E 2264/4885
US-20160200735-A1 THERAPEUTIC PYRAZOLYL THIENOPYRIDINES TGFBR1, SMAD3, TGFBR2 MAPT 3677/4885L3MBTL1 1566/4885KDM4E 2264/4885
US-20110224251-A1 Therapeutic Pyrazolyl Thienopyridines TGFBR1, SMAD3, TGFBR2 MAPT 3677/4885L3MBTL1 1566/4885KDM4E 2264/4885
US-20150175624-A1 THERAPEUTIC PYRAZOLYL THIENOPYRIDINES TGFBR1, SMAD3, TGFBR2 MAPT 3677/4885L3MBTL1 1566/4885KDM4E 2264/4885
US-20080090861-A1 Cancer and fibrotic disorders such as scarring prevention; 2-(4-methyl-1-(6-methylpyridin-2-yl)-1H-pyrazol-5-yl)thieno[2,3-c]pyridine for example; activin receptor-like kinase-5 (ALK-5) inhibitors ACVR1, TGFBR1, ACVRL1 MAPT 4596/4885L3MBTL1 1191/4885KDM4E 412/4885

“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.