SCHEMBL3194072

SCHEMBL3194072

c1ccn2nc(C3CC3)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.44
MAP4K4 O95819 1/20 0.42
ABL1 P00519 1/20 0.42
MAPK8 P45983 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CDK7 P50613 1/20 0.42
TYRO3 Q06418 1/20 0.42
LRRK2 Q5S007 1/20 0.42
AURKB Q96GD4 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
DRD2 P14416 4/20 0.38
DRD3 P35462 4/20 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
SCHEMBL3957685 0.93 NPC1 (0.44) HDAC4MAP4K4ABL1MAPK8CSNK1A1
SCHEMBL31024085 0.93 NPC1 (0.47) HDAC4MAP4K4ABL1MAPK8CSNK1A1
SCHEMBL30977435 0.82 HDAC4 (0.39) HDAC4MAP4K4ABL1MAPK8CSNK1A1
SCHEMBL31024054 0.81 KDM4E (0.43) HDAC4MAP4K4ABL1MAPK8CSNK1A1
SCHEMBL29548842 0.80 MAP4K4 (0.35) HDAC4MAP4K4ABL1MAPK8CSNK1A1
Hydrochloric Acid SCHEMBL31308576 0.77 NPC1 (0.38) HDAC4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL16540487 0.77 CYP11B1 (0.36) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL5953401 0.72 HRH3 (0.51) HDAC4MAP4K4ABL1MAPK8CSNK1A1
SCHEMBL16225126 0.72 HDAC4 (0.41) HDAC4MAP4K4ABL1MAPK8CSNK1A1
SCHEMBL14149194 0.72 HDAC4 (0.41) HDAC4MAP4K4ABL1MAPK8CSNK1A1

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
CN-118475580-A Platelet-derived growth factor receptor (PDGFR) alpha inhibitors and uses thereof 普罗根托斯治疗公司 2024-08-09 CN disclosed
CN-115515956-B Benzimidazole derivative, and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2024-06-25 CN disclosed
CN-115515956-A Benzimidazole derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-12-23 CN disclosed
WO-2022068772-A1 BENZIMIDAZOLE DERIVATIVE, AND PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 深圳信立泰药业股份有限公司 2022-04-07 WO disclosed
WO-2022068772-A1 BENZIMIDAZOLE DERIVATIVE, AND PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 深圳信立泰药业股份有限公司 2022-04-07 WO disclosed
US-20100035920-A1 SUBSTITUTED PYRAZOLO[1,5-a] PYRIDINE COMPOUNDS AND THEIR METHODS OF USE AVIGEN, INC. (US) 2010-02-11 US disclosed
US-20100035920-A1 SUBSTITUTED PYRAZOLO[1,5-a] PYRIDINE COMPOUNDS AND THEIR METHODS OF USE AVIGEN, INC. (US) 2010-02-11 US disclosed
US-20100035920-A1 SUBSTITUTED PYRAZOLO[1,5-a] PYRIDINE COMPOUNDS AND THEIR METHODS OF USE AVIGEN, INC. (US) 2010-02-11 US disclosed
US-20090318437-A1 SUBSTITUTED PYRAZOLO[1,5-a] PYRIDINE COMPOUNDS AND THEIR METHODS OF USE MEDICINOVA, INC. 2009-12-24 US disclosed
US-20090318437-A1 SUBSTITUTED PYRAZOLO[1,5-a] PYRIDINE COMPOUNDS AND THEIR METHODS OF USE MEDICINOVA, INC. 2009-12-24 US disclosed
US-20090318437-A1 SUBSTITUTED PYRAZOLO[1,5-a] PYRIDINE COMPOUNDS AND THEIR METHODS OF USE MEDICINOVA, INC. 2009-12-24 US disclosed
US-7585875-B2 Substituted pyrazolo[1,5-a]pyridine compounds and their methods of use AVIGEN, INC. (US) 2009-09-08 US disclosed
US-7585875-B2 Substituted pyrazolo[1,5-a]pyridine compounds and their methods of use AVIGEN, INC. (US) 2009-09-08 US disclosed
US-7585875-B2 Substituted pyrazolo[1,5-a]pyridine compounds and their methods of use AVIGEN, INC. (US) 2009-09-08 US disclosed
EP-1555265-B1 7-PHENYL PYRAZOLOPYRIDINE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2009-03-25 EP disclosed
EP-2038279-A2 SUBSTITUTED PYRAZOLO [1,5- ALPHA] PYRIDINE COMPOUNDS AND THEIR METHODS OF USE Avigen, Inc. (US) 2009-03-25 EP disclosed
WO-2007146087-A2 SUBSTITUTED PYRAZOLO [1,5-α] PYRIDINE COMPOUNDS AND THEIR METHODS OF USE AVIGEN, INC. (US) 2007-12-21 WO disclosed
WO-2007146087-A2 SUBSTITUTED PYRAZOLO [1,5-α] PYRIDINE COMPOUNDS AND THEIR METHODS OF USE AVIGEN, INC. (US) 2007-12-21 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 (2 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-20090318437-A1 SUBSTITUTED PYRAZOLO[1,5-a] PYRIDINE COMPOUNDS AND THEIR METHODS OF USE PNPO, PDXK, CYP3A5 HDAC4 2683/4885MAP4K4 256/4885ABL1 114/4885
US-20100035920-A1 SUBSTITUTED PYRAZOLO[1,5-a] PYRIDINE COMPOUNDS AND THEIR METHODS OF USE PNPO, PDXK, CYP3A5 HDAC4 2683/4885MAP4K4 256/4885ABL1 114/4885

“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.