SCHEMBL3340103

SCHEMBL3340103

Brc1ccc2[nH]c(-c3ccccc3)nc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.63
RXFP1 Q9HBX9 1/20 0.63
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
GAA P10253 2/20 0.62
PTGES O14684 2/20 0.61
MMP13 P45452 4/20 0.54
MMP2 P08253 3/20 0.54
MMP9 P14780 3/20 0.54
MMP8 P22894 3/20 0.54
MAPT P10636 4/20 0.53
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 4/20 0.53
TP53 P04637 4/20 0.53
HPGD P15428 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HSD17B10 Q99714 2/20 0.53
GLA P06280 1/20 0.53
HTT P42858 1/20 0.53
GFER P55789 1/20 0.53

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
SCHEMBL15288339 0.86 MMP13 (0.71) ATMRXFP1NPC1RAB9AGAA
SCHEMBL29949328 0.86 MMP13 (0.71) ATMRXFP1NPC1RAB9AGAA
SCHEMBL1170673 0.85 PDPK1 (0.51) ATMRXFP1NPC1RAB9APTGES
SCHEMBL17393311 0.85 NR1H4 (0.61) ATMRXFP1NPC1RAB9AGAA
SCHEMBL3337505 0.83 ALDH1A1 (0.55) ATMRXFP1NPC1RAB9AGAA
SCHEMBL26753826 0.83 KDM4E (0.61) ATMRXFP1NPC1RAB9APTGES
SCHEMBL27236921 0.83 MMP2 (0.55) ATMRXFP1MMP13MMP2MMP9
SCHEMBL6264476 0.83 MMP2 (0.77) RXFP1NPC1RAB9AGAAMMP13
SCHEMBL26753825 0.83 MGAM (0.52) ATMRXFP1NPC1RAB9AGAA
SCHEMBL22649095 0.82 NPC1 (0.67) NPC1RAB9AGAAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220384735-A1 PERI-CONDENSED HETEROCYCLIC COMPOUNDS AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2022-12-01 US disclosed
US-20220384735-A1 PERI-CONDENSED HETEROCYCLIC COMPOUNDS AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2022-12-01 US disclosed
CN-110759903-B Novel synthesis method of thiabendazole 南开大学 2022-10-28 CN disclosed
EP-4031549-A1 PERI-CONDENSED HETEROCYCLIC COMPOUNDS AS MATERIALS FOR ELECTRONIC DEVICES Merck Patent GmbH (DE) 2022-07-27 EP disclosed
CN-114401945-A Peri-condensed heterocyclic compounds as materials for electronic devices 默克专利有限公司 2022-04-26 CN disclosed
WO-2021053046-A1 PERI-CONDENSED HETEROCYCLIC COMPOUNDS AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2021-03-25 WO disclosed
WO-2021053046-A1 PERI-CONDENSED HETEROCYCLIC COMPOUNDS AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2021-03-25 WO disclosed
US-10236451-B2 Compound and organic electroluminescent device comprising the same DOOSAN CORPORATION (KR) 2019-03-19 US disclosed
US-20150171344-A1 NOVEL COMPOUND AND ELECTROLUMINESCENT DEVICE INCLUDING SAME DOOSAN CORPORATION (KR) 2015-06-18 US disclosed
US-20150171344-A1 NOVEL COMPOUND AND ELECTROLUMINESCENT DEVICE INCLUDING SAME DOOSAN CORPORATION (KR) 2015-06-18 US disclosed
US-20150171344-A1 NOVEL COMPOUND AND ELECTROLUMINESCENT DEVICE INCLUDING SAME DOOSAN CORPORATION (KR) 2015-06-18 US disclosed
WO-2014010810-A1 NOVEL COMPOUND AND ELECTROLUMINESCENT DEVICE INCLUDING SAME 주식회사 두산 (KR) 2014-01-16 WO disclosed
US-8198307-B2 Imidazole derivatives having aryl piperidine substituent, method for preparation thereof and pharmaceutical compositions containing same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-06-12 US disclosed
US-20100145054-A1 IMIDAZOLE DERIVATIVES HAVING ARYL PIPERIDINE SUBSTITUENT, METHOD FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-06-10 US disclosed
EP-2178563-A2 COMBINATION ANTI-CANCER THERAPY COMPRISING AN INHIBITOR OF BOTH MTORC1 AND MTORC2 OSI Pharmaceuticals, Inc. (US) 2010-04-28 EP disclosed
WO-2009008992-A2 COMBINATION ANTI-CANCER THERAPY COMPRISING AN INHIBITOR OF BOTH MTORC1 AND MT0RC2 OSI PHARMACEUTICALS INC. (US) 2009-01-15 WO disclosed
US-6162804-A Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2000-12-19 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 (4 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-10236451-B2 Compound and organic electroluminescent device comprising the same VDAC1, PIEZO1, SLCO4C1 ATM 3553/4885RXFP1 4779/4885NPC1 1690/4885
US-20150171344-A1 NOVEL COMPOUND AND ELECTROLUMINESCENT DEVICE INCLUDING SAME VDAC1, ALDH2, VDAC2 ATM 3592/4885RXFP1 4518/4885NPC1 2437/4885
US-20220384735-A1 PERI-CONDENSED HETEROCYCLIC COMPOUNDS AS MATERIALS FOR ELECTRONIC DEVICES KCNH1, NES, KCNC1 ATM 2818/4885RXFP1 4848/4885NPC1 3475/4885
US-20100145054-A1 IMIDAZOLE DERIVATIVES HAVING ARYL PIPERIDINE SUBSTITUENT, METHOD FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME TYR, MCHR1, MCHR2 ATM 1796/4885RXFP1 906/4885NPC1 223/4885

“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.