SCHEMBL68962

SCHEMBL68962

CCc1cc(Br)cnc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
HTT P42858 2/20 0.54
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
NPC1 O15118 1/20 0.41
DYRK1A Q13627 1/20 0.39
IDO1 P14902 1/20 0.39
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 3/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 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
SCHEMBL854857 0.81 KMT2A (0.47) KMT2AHTTNPC1DYRK1AIDO1
SCHEMBL1104634 0.81 KMT2A (0.56) KMT2AHTTNPC1DYRK1AIDO1
SCHEMBL29607382 0.81 HTT (0.56) KMT2AHTTNPC1DYRK1AIDO1
SCHEMBL14051242 0.81 HTT (0.56) KMT2AHTTNPC1DYRK1AIDO1
SCHEMBL3146311 0.80 KMT2A (0.50) KMT2AHTTNPC1DYRK1AIDO1
SCHEMBL2067939 0.80 KMT2A (0.46) KMT2AHTTNPC1DYRK1AIDO1
SCHEMBL12681547 0.79 HTT (0.42) KMT2AHTTNPC1HSD17B10KDM4E
SCHEMBL24567435 0.79 KMT2A (0.54) KMT2AHTTNPC1DYRK1AIDO1
Bromide SCHEMBL725234 0.79 KMT2A (0.54) KMT2AHTTNPC1DYRK1AIDO1
SCHEMBL14493846 0.79 KMT2A (0.54) KMT2AHTTNPC1DYRK1AIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250381187-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2025-12-18 US disclosed
US-12440491-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2025-10-14 US disclosed
EP-4587127-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE Prelude Therapeutics Incorporated (US) 2025-07-23 EP disclosed
US-20240407983-A1 (R,E)-3,7-DIMETHYLNON-6-ENAL, ISOMERIC MIXTURES OF THE COMPOUND AND THE USE IN PERFUMERY GIVAUDAN SA (CH) 2024-12-12 US disclosed
US-20240165244-A1 BRM Targeting Compounds And Associated Methods Of Use PRELUDE THERAPEUTICS INCORPORATED 2024-05-23 US disclosed
CN-118055916-A (R, E) -3, 7-dimethyl-non-6-enal, isomer mixture of the compound and application in perfume 奇华顿股份有限公司 2024-05-17 CN disclosed
WO-2024059806-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE PRELUDE THERAPEUTICS INCORPORATED (US) 2024-03-21 WO disclosed
WO-2024059806-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE PRELUDE THERAPEUTICS INCORPORATED (US) 2024-03-21 WO disclosed
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2024-02-15 US disclosed
EP-3788038-B1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC (US) 2023-10-11 EP disclosed
US-7977336-B2 Aminopyrimidine derivatives as PLK1 inhibitors BANYU PHARMACEUTICAL CO. LTD (JP) 2011-07-12 US disclosed
CN-102015686-A Novel heterocyclic compounds and uses therof NOVARTIS AG 2011-04-13 CN disclosed
EP-2274300-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF Novartis AG (CH) 2011-01-19 EP disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
EP-2116543-A1 NOVEL AMINOPYRIMIDINE DERIVATIVE AS PLK1 INHIBITOR BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-11-11 EP disclosed
EP-2114942-A1 NOVEL AMINOPYRIMIDINE DERIVATIVES AS PLK1 INHIBITORS BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-11-11 EP disclosed
CN-101573361-A Novel aminopyrimidine derivative as plk1 inhibitor BANYU PHARMA CO LTD (JP) 2009-11-04 CN disclosed
WO-2009115572-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF NOVARTIS AG (CH) 2009-09-24 WO disclosed
US-20080305081-A1 Novel aminopyrimidine derivatives as PLK1 inhibitors BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-12-11 US disclosed
WO-2008081910-A1 NOVEL AMINOPYRIMIDINE DERIVATIVES AS PLK1 INHIBITORS BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-10 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 (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-20080305081-A1 Novel aminopyrimidine derivatives as PLK1 inhibitors PLK1, AURKA, CDK1 KMT2A 904/4885HTT 3644/4885NOS3 3049/4885
US-20240165244-A1 BRM Targeting Compounds And Associated Methods Of Use ABCG2, BRIX1, MRPS28 KMT2A 4133/4885HTT 3121/4885NOS3 4809/4885
US-20250381187-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS KMT2A 2069/4885HTT 2514/4885NOS3 4868/4885
US-12440491-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS KMT2A 2069/4885HTT 2514/4885NOS3 4868/4885
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS KMT2A 2069/4885HTT 2514/4885NOS3 4868/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS KMT2A 2016/4885HTT 2408/4885NOS3 4589/4885
US-20240407983-A1 (R,E)-3,7-DIMETHYLNON-6-ENAL, ISOMERIC MIXTURES OF THE COMPOUND AND THE USE IN PERFUMERY CYP2D6, G6PD, ECI1 KMT2A 4604/4885HTT 4606/4885NOS3 488/4885

“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.