SCHEMBL20677010

SCHEMBL20677010

O=C1NCC(C2CC2)N1c1ccnc(Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.36
CDK4 P11802 2/20 0.34
CCNA2 P20248 2/20 0.34
CCND1 P24385 2/20 0.34
CCNE1 P24864 2/20 0.34
CDK2 P24941 2/20 0.34
CCND3 P30281 2/20 0.34
CDK6 Q00534 2/20 0.34
TP53 P04637 1/20 0.34
MDM2 Q00987 1/20 0.34
RPS6KA5 O75582 1/20 0.34
IDH1 O75874 6/20 0.33
ROCK1 Q13464 1/20 0.32
EIF2AK4 Q9P2K8 1/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL19402046 1.00 TRPV1 (0.36) TRPV1CDK4CCNA2CCND1CCNE1
SCHEMBL20676949 0.80 IDH1 (0.31) IDH1
SCHEMBL19402040 0.80 IDH1 (0.31) IDH1
SCHEMBL20956364 0.79 CDK4 (0.47) TRPV1CDK4CCNA2CCND1CCNE1
SCHEMBL20677047 0.78 HDAC6 (0.47) TP53MDM2IDH1
SCHEMBL19402044 0.78 HDAC6 (0.47) TP53MDM2IDH1
SCHEMBL23019766 0.76 TRPV1 (0.33) TRPV1CDK4CCNA2CCND1CCNE1
SCHEMBL19402112 0.76 CDK4 (0.50) CDK4CCNA2CCND1CCNE1CDK2
SCHEMBL20677090 0.76 CDK4 (0.50) CDK4CCNA2CCND1CCNE1CDK2
SCHEMBL16098324 0.70 ROCK1 (0.37) TRPV1CDK4CCNA2CCND1CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3434674-B1 ((4-(2-OXOIMIDAZOLIDINE-1-YL)PYRIMIDIN-2-YL)AMINE DERIVATIVES AS MUTANT IDH INHIBITORS FOR TREATING CANCER SHANGHAI HAIHE PHARMACEUTICAL CO LTD (CN) 2021-02-24 EP disclosed
US-10682352-B2 Compound having mutant IDH inhibitory activity, preparation method and use thereof SHANGHAI HAIHE PHARMACEUTICAL CO., LTD. (CN) 2020-06-16 US disclosed
US-10682352-B2 Compound having mutant IDH inhibitory activity, preparation method and use thereof SHANGHAI HAIHE PHARMACEUTICAL CO., LTD. (CN) 2020-06-16 US disclosed
US-20190111056-A1 COMPOUND HAVING MUTANT IDH INHIBITORY ACTIVITY, PREPARATION METHOD AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-04-18 US disclosed
US-20190111056-A1 COMPOUND HAVING MUTANT IDH INHIBITORY ACTIVITY, PREPARATION METHOD AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-04-18 US disclosed
EP-3434674-A1 COMPOUND HAVING MUTANT IDH INHIBITORY ACTIVITY, PREPARATION METHOD AND USE THEREOF Shanghai Haihe Pharmaceutical Co., Ltd. (CN) 2019-01-30 EP 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 (2 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-20190111056-A1 COMPOUND HAVING MUTANT IDH INHIBITORY ACTIVITY, PREPARATION METHOD AND USE THEREOF IDH1, IDH3A, IDH2 TRPV1 4467/4885CDK4 2218/4885CCNA2 4143/4885
US-10682352-B2 Compound having mutant IDH inhibitory activity, preparation method and use thereof IDH1, IDH3A, IDH2 TRPV1 4467/4885CDK4 2218/4885CCNA2 4143/4885

“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.