SCHEMBL4564464

SCHEMBL4564464

O=c1[nH]ncc2cn[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.50
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
PARP1 P09874 1/20 0.50
PRKCI P41743 1/20 0.50
PDE4B Q07343 1/20 0.50
SLC2A1 P11166 1/20 0.43
NOS1 P29475 3/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 2/20 0.39
BLM P54132 2/20 0.39
XDH P47989 2/20 0.39
LMNA P02545 1/20 0.39
ADORA2A P29274 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL7008038 0.75 HSD17B10 (0.47) HSD17B10ALDH1A1TDP1PARP1PRKCI
SCHEMBL5142749 0.75 NOS1 (0.42) HSD17B10ALDH1A1TDP1PARP1PRKCI
SCHEMBL13485029 0.68 ALDH1A1 (0.36) HSD17B10ALDH1A1TDP1PARP1PRKCI
Phthalazinone SCHEMBL51553 0.67 PARP1 (1.00) HSD17B10ALDH1A1TDP1PARP1PRKCI
Phthalazinone SCHEMBL2473799 0.66 PARP1 (0.96) HSD17B10ALDH1A1TDP1PARP1PRKCI
Phthalazinone SCHEMBL9617397 0.66 PARP1 (0.96) HSD17B10ALDH1A1TDP1PARP1PRKCI
Phthalazinone SCHEMBL11516881 0.66 PARP1 (0.96) HSD17B10ALDH1A1TDP1PARP1PRKCI
Phthalazinone SCHEMBL11519244 0.66 PARP1 (0.96) HSD17B10ALDH1A1TDP1PARP1PRKCI
Phthalazinone SCHEMBL11690359 0.66 PARP1 (0.96) HSD17B10ALDH1A1TDP1PARP1PRKCI
SCHEMBL22829565 0.66 ALDH1A1 (0.52) HSD17B10ALDH1A1TDP1PARP1PRKCI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240109896-A1 FGFR KINASE INHIBITOR AND USE THEREOF YA THERAPEUTICS INC (CN) 2024-04-04 US claimed
EP-1296982-A1 1-(HETEROARYL-PHENYL)-CONDENSED PYRAZOL DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2003-04-02 EP claimed
WO-2002000655-A1 1 - (HETEROARYL-PHENYL) - CONDENSED PYRAZOL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-01-03 WO claimed
CN-115433190-B Preparation method and application of irreversible heterocyclic compound FGFR inhibitor 药雅科技(上海)有限公司 2024-09-20 CN disclosed
CN-115433190-A Preparation method and application of irreversible heterocyclic compound FGFR inhibitor 药雅科技(上海)有限公司 2022-12-06 CN disclosed
WO-2022166469-A1 FGFR KINASE INHIBITOR AND USE THEREOF 药雅科技(上海)有限公司 2022-08-11 WO disclosed
WO-2015189433-A1 PYRIDAZINONES FOR THE TREATMENT OF CANCER MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-12-17 WO disclosed
EP-2137158-A1 SMALL MOLECULE INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES (PRMTS) MethylGene Inc. (CA) 2009-12-30 EP disclosed
WO-2008104077-A1 SMALL MOLECULE INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES (PRMTS) METHYLGENE INC. (CA) 2008-09-04 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 (1 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-20240109896-A1 FGFR KINASE INHIBITOR AND USE THEREOF FGFR1, FGFR2, FGFR3 HSD17B10 1223/4885ALDH1A1 1185/4885TDP1 2716/4885

“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.