SCHEMBL839531

SCHEMBL839531

c1ccc2c(c1)nc1ncccn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.50
PTPN2 P17706 1/20 0.50
RAD51 Q06609 4/20 0.47
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 6/20 0.46
HPGD P15428 5/20 0.46
GAA P10253 3/20 0.46
GLA P06280 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPT P10636 1/20 0.44
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CSNK1A1 P48729 1/20 0.42
CLK2 P49760 1/20 0.42
LIMK1 P53667 1/20 0.42
DYRK1A Q13627 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
PARP1 P09874 1/20 0.42
KLK7 P49862 1/20 0.41

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
SCHEMBL29449203 1.00 PTPN1 (0.50) PTPN1PTPN2RAD51KDM4EALDH1A1
SCHEMBL24329860 0.78 NPM1 (0.43) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL830523 0.78 KLK7 (0.43) RAD51KDM4EALDH1A1GAAGLA
SCHEMBL831947 0.78 ALDH1A1 (0.46) PTPN1RAD51KDM4EALDH1A1HPGD
SCHEMBL10806873 0.75 KDM4E (0.58) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL11884712 0.75 PARP1 (0.44) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL12883857 0.75 PARP1 (0.51) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL24329942 0.74 BRD4 (0.39) PTPN1KDM4EALDH1A1HPGDGAA
SCHEMBL3126879 0.72 MAPT (0.55) RAD51KDM4EALDH1A1HPGDMAPT
SCHEMBL3118498 0.72 MAPT (0.55) KDM4EALDH1A1GAAMAPTRAB9A

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 94 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4167569-A ANTICOAGULANTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-09-11 US claimed
EP-3846811-B1 COMBINATION OF APREPITANT, BUPIVACAINE, AND MELOXICAM FOR USE IN THE TREATMENT OF POST-SURGICAL PAIN HERON THERAPEUTICS INC (US) 2025-11-05 EP disclosed
US-12419861-B2 Method for preventing and/or treating chronic traumatic encephalopathy-i EUSTRALIS PHARMACEUTICALS LIMITED (TRADING AS PRESSURA NEURO) (AU) 2025-09-23 US disclosed
EP-4598923-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS The Regents of the University of California (US) 2025-08-13 EP disclosed
EP-3966215-B1 SYNTHESIS OF LABELED IMIDAZO[1,2-A]PYRIMIDINES HOFFMANN LA ROCHE (CH) 2025-01-29 EP disclosed
US-12115255-B2 Methods of use of emulsion formulations of an NK-1 receptor antagonist HERON THERAPEUTICS, INC. (US) 2024-10-15 US disclosed
US-12115254-B2 Methods of use of emulsion formulations of an NK-1 receptor antagonist HERON THERAPEUTICS, INC. (US) 2024-10-15 US disclosed
US-20240238197-A1 METHODS OF USE OF EMULSION FORMULATIONS OF AN NK-1 RECEPTOR ANTAGONIST HERON THERAPEUTICS, INC. 2024-07-18 US disclosed
US-12037332-B2 Compound including benzimidazole ring structure and organic electroluminescent element HODOGAYA CHEMICAL CO., LTD. (JP) 2024-07-16 US disclosed
US-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US disclosed
EP-1768200-A1 Dopant and its production method Novaled AG (DE) 2007-03-28 EP disclosed
EP-1672714-A2 Dopant and its production method Novaled GmbH (DE) 2006-06-21 EP disclosed
US-20050277117-A1 Drug discovery method KEDDEM BIO-SCIENCE LTD. (IL) 2005-12-15 US disclosed
US-6919331-B2 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-19 US disclosed
EP-1461035-A4 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS BRISTOL MYERS SQUIBB CO (US) 2005-04-06 EP disclosed
EP-1461035-A2 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS Bristol-Myers Squibb Company (US) 2004-09-29 EP disclosed
US-20030207868-A1 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2003-11-06 US disclosed
WO-2003053344-A2 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO disclosed
US-4167569-A ANTICOAGULANTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-09-11 US disclosed
US-4167569-A ANTICOAGULANTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-09-11 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 (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-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS MAPT, HTT, PSEN1 PTPN1 4528/4885PTPN2 4261/4885RAD51 290/4885
US-12037332-B2 Compound including benzimidazole ring structure and organic electroluminescent element H1-0, H1-4, H1-2 PTPN1 4435/4885PTPN2 4516/4885RAD51 1263/4885
US-20030207868-A1 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents MAVS, ZC3HAV1, EIF2AK2 PTPN1 3627/4885PTPN2 2860/4885RAD51 3067/4885

“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.