SCHEMBL2012664

SCHEMBL2012664

Cc1cccc(-n2nc3c(c2O)CCC3)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.52
RECQL P46063 1/20 0.42
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
GRIN2B Q13224 3/20 0.37
POLB P06746 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
GRM5 P41594 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
POLQ O75417 1/20 0.34
MAPT P10636 3/20 0.33

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
SCHEMBL24095516 0.97 TGFBR1 (0.49) TGFBR1RECQLHTR3EHTR3BHTR3A
SCHEMBL29871360 0.75 F12 (0.42) NPC1ALDH1A1RAB9AMAPTMEN1
SCHEMBL23648626 0.75 F12 (0.42) NPC1ALDH1A1RAB9AMAPTMEN1
SCHEMBL23648612 0.75 C5AR1 (0.46) NPC1ALDH1A1RAB9AMAPTMEN1
SCHEMBL29871144 0.75 C5AR1 (0.46) NPC1ALDH1A1RAB9AMAPTMEN1
SCHEMBL4971846 0.74 GABRA1 (0.44) GRIN2BNPC1ALDH1A1PKMRAB9A
SCHEMBL29871089 0.74 GABRA1 (0.44) GRIN2BNPC1ALDH1A1PKMRAB9A
SCHEMBL2010390 0.73 TGFBR1 (0.44) TGFBR1RECQLHTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL30337257 0.72 GABRA1 (0.43) GRIN2BNPC1ALDH1A1PKMRAB9A
SCHEMBL25942612 0.72 TGFBR1 (0.52) TGFBR1RECQLHTR3EHTR3BHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
US-20220098171-A1 5-(4-PYRIDYLOXY)PYRAZOLE COMPOUNDS SERVING AS TGF-ßR1 KINASE INHIBITOR JIANGSU AOSAIKANG PHARMACEUTICAL CO., LTD. (CN) 2022-03-31 US disclosed
EP-3922631-A1 5-(4-PYRIDYLOXY)PYRAZOLE COMPOUNDS SERVING AS TGF-BETA R1 KINASE INHIBITOR Jiangsu AoSaiKang Pharmaceutical Co., Ltd. (CN) 2021-12-15 EP 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
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 (7 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-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP51A1, CYP4F11, WEE1 TGFBR1 1681/4885RECQL 2816/4885HTR3E 4605/4885
US-20140031385-A1 THERAPEUTIC PYRAZOLYL THIENOPYRIDINES TGFBR1, SMAD3, TGFBR2 TGFBR1 1/4885RECQL 1500/4885HTR3E 2736/4885
US-20160200735-A1 THERAPEUTIC PYRAZOLYL THIENOPYRIDINES TGFBR1, SMAD3, TGFBR2 TGFBR1 1/4885RECQL 1500/4885HTR3E 2736/4885
US-20110224251-A1 Therapeutic Pyrazolyl Thienopyridines TGFBR1, SMAD3, TGFBR2 TGFBR1 1/4885RECQL 1500/4885HTR3E 2736/4885
US-20220098171-A1 5-(4-PYRIDYLOXY)PYRAZOLE COMPOUNDS SERVING AS TGF-ßR1 KINASE INHIBITOR TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885RECQL 4152/4885HTR3E 2643/4885
US-20150175624-A1 THERAPEUTIC PYRAZOLYL THIENOPYRIDINES TGFBR1, SMAD3, TGFBR2 TGFBR1 1/4885RECQL 1500/4885HTR3E 2736/4885
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 TGFBR1 2/4885RECQL 3792/4885HTR3E 2925/4885

“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.