SCHEMBL21177151

SCHEMBL21177151

Cn1ccnc1-c1cccc(CN)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 1/20 0.43
NMT1 P30419 2/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
RIPK2 O43353 1/20 0.40
CDK8 P49336 2/20 0.40
FFAR1 O14842 1/20 0.39
BRD4 O60885 2/20 0.39
ADRB2 P07550 1/20 0.39
PDK1 Q15118 1/20 0.38
POLB P06746 1/20 0.38
CCNC P24863 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
PRKDC P78527 1/20 0.38
NTRK1 P04629 1/20 0.38
NSD3 Q9BZ95 1/20 0.37
OPRM1 P35372 1/20 0.37

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
SCHEMBL506494 0.83 ADRB2 (0.47) NMT1CDK8BRD4ADRB2PDK1
SCHEMBL14412223 0.83 NMT1 (0.52) NMT1RIPK2CDK8BRD4CCNC
SCHEMBL28039302 0.82 TGFBR1 (0.46) NMT1RIPK2FFAR1PDK1POLB
SCHEMBL12759448 0.80 TGFBR1 (0.48) NMT1RIPK2BRD4POLBPRKDC
SCHEMBL3970148 0.79 MAP4K4 (0.46) NMT1RIPK2CDK8BRD4POLB
SCHEMBL29129758 0.78 FFAR1 (0.47) RIPK2FFAR1PDK1POLBNTRK1
SCHEMBL17264894 0.78 NMT1 (0.52) NMT1RIPK2CDK8BRD4CCNC
SCHEMBL12320076 0.76 KDR (0.47) NMT1RIPK2BRD4POLBPRKDC
SCHEMBL3489826 0.76 NMT1 (0.47) NMT1RIPK2BRD4PRKDCNTRK1
SCHEMBL29711750 0.76 HSD17B2 (0.48) NMT1RIPK2PDK1NTRK1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240336618-A1 PI4KIIIBETA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-10-10 US disclosed
US-11649238-B2 Substituted pyrazolo[1,5-a]pyrimidines as PI4K inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-05-16 US disclosed
US-11649238-B2 Substituted pyrazolo[1,5-a]pyrimidines as PI4K inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-05-16 US disclosed
US-11649238-B2 Substituted pyrazolo[1,5-a]pyrimidines as PI4K inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-05-16 US disclosed
US-20230124394-A1 PI4KIIIBETA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-04-20 US disclosed
US-20230124394-A1 PI4KIIIBETA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-04-20 US disclosed
US-20210387988-A1 PI4KIIIbeta Inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-12-16 US disclosed
US-20210387988-A1 PI4KIIIbeta Inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-12-16 US disclosed
EP-3740489-A1 PI4KIIIBETA INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-11-25 EP disclosed
CN-111868063-A PI4KIII beta inhibitors 葛兰素史克知识产权开发有限公司 2020-10-30 CN disclosed
WO-2019141694-A1 PI4KIIIBETA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-25 WO disclosed
WO-2019141694-A1 PI4KIIIBETA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-25 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 (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-20230124394-A1 PI4KIIIBETA INHIBITORS PI4KB, PI4K2B, PI4K2A KARS1 1638/4885NMT1 3943/4885NOS3 3725/4885
US-11649238-B2 Substituted pyrazolo[1,5-a]pyrimidines as PI4K inhibitors PI4K2A, PI4K2B, PI4KA KARS1 958/4885NMT1 4616/4885NOS3 3311/4885
US-20240336618-A1 PI4KIIIBETA INHIBITORS PI4KB, PI4K2B, PI4K2A KARS1 1645/4885NMT1 3985/4885NOS3 3695/4885
US-20210387988-A1 PI4KIIIbeta Inhibitors PI4KB, PI4K2B, PI4K2A KARS1 1645/4885NMT1 3985/4885NOS3 3695/4885

“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.