SCHEMBL17514151

SCHEMBL17514151

O=C(O)c1cnc2[nH]nc(C3CC3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 4/20 0.41
▸ CCNA2 P20248 4/20 0.40
▸ CDK2 P24941 4/20 0.40
▸ CCNA1 P78396 4/20 0.40
▸ HCAR2 Q8TDS4 2/20 0.40
▸ KDM4A O75164 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ KMO O15229 1/20 0.34
▸ AAK1 Q2M2I8 1/20 0.34
▸ AXL P30530 4/20 0.33
▸ SGK1 O00141 1/20 0.33
▸ CAMKK2 Q96RR4 1/20 0.33
▸ NAPRT Q6XQN6 1/20 0.33
▸ MGAM O43451 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL17514102 0.79 CCNA2 (0.34) CCNA2CDK2CCNA1
SCHEMBL24566893 0.78 CHEK1 (0.35) CCNA2CDK2CCNA1HCAR2
Hydrochloric Acid SCHEMBL29900907 0.77 PLAT (0.41) AXLSGK1CAMKK2
SCHEMBL17514144 0.76 KDM4E (0.42) HCAR3CDK2NAPRTMGAMKDM4E
SCHEMBL1145007 0.75 HCAR3 (0.41) HCAR3HCAR2KDM4AKDM4CNAPRT
SCHEMBL28586933 0.75 HCAR2 (0.41) HCAR3HCAR2KDM4AKDM4CAXL
SCHEMBL1592938 0.75 GRM4 (0.32) —
SCHEMBL30692607 0.75 HCAR3 (0.41) HCAR3HCAR2KDM4AKDM4CNAPRT
SCHEMBL22368670 0.75 PDK2 (0.47) KDM4E
SCHEMBL30592406 0.75 JAK2 (0.39) CCNA2CDK2CCNA1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3183239-B1 INDAZOLES MERCK PATENT GMBH (DE) 2018-09-26 — — EP disclosed
US-9862717-B2 Indazoles MERCK PATENT GMBH (DE) 2018-01-09 — — US disclosed
US-20170267675-A1 INDAZOLES MERCK PATENT GMBH (DE) 2017-09-21 — — US disclosed
EP-3183239-A1 INDAZOLES Merck Patent GmbH (DE) 2017-06-28 — — EP disclosed
WO-2016026549-A1 INDAZOLES MERCK PATENT GMBH (DE) 2016-02-25 — — 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 (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-20170267675-A1 INDAZOLES MKI67, CCNI, BRCA1 HCAR3 1194/4885CCNA2 105/4885CDK2 38/4885

“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.

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