SCHEMBL19402045

SCHEMBL19402045

O=C1NCC2(CCCC2)N1c1ccnc(Cl)n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 4/20 0.48
▸ CCND1 P24385 4/20 0.48
▸ CCND3 P30281 4/20 0.48
▸ CDK6 Q00534 4/20 0.48
▸ CCNT1 O60563 2/20 0.48
▸ CDK9 P50750 2/20 0.48
▸ CDK7 P50613 1/20 0.48
▸ CCNH P51946 1/20 0.48
▸ MNAT1 P51948 1/20 0.48
▸ IDH1 O75874 2/20 0.35
▸ RPS6KA5 O75582 1/20 0.34
▸ TRPV1 Q8NER1 11/20 0.34
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ HRH3 Q9Y5N1 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
SCHEMBL20956353 0.99 CDK4 (0.50) CDK4CCND1CCND3CDK6CCNT1
SCHEMBL19402043 0.79 RPS6KA5 (0.35) CDK4CCND1CCND3CDK6CCNT1
SCHEMBL20956322 0.79 CCNT1 (0.52) CDK4CCND1CCND3CDK6CCNT1
SCHEMBL20956374 0.79 CCND3 (0.54) CDK4CCND1CCND3CDK6CCNT1
SCHEMBL14846570 0.78 IDH1 (0.56) IDH1
SCHEMBL20677023 0.74 CDK4 (0.35) CDK4CCND1CCND3CDK6CCNT1
SCHEMBL20956355 0.73 CDK4 (0.39) CDK4CCND1CCND3CDK6CCNT1
SCHEMBL20875127 0.71 CCNT1 (0.43) CDK4CCND1CCND3CDK6CCNT1
SCHEMBL20956336 0.71 CDK4 (0.58) CDK4CCND1CCND3CDK6IDH1
SCHEMBL16098386 0.70 TNKS (0.38) IDH1RPS6KA5TRPV1

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-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-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
WO-2017162133-A1 COMPOUND HAVING MUTANT IDH INHIBITORY ACTIVITY, PREPARATION METHOD AND USE THEREOF 上海海和药物研究开发有限公司 2017-09-28 — — 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 (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 CDK4 2218/4885CCND1 3808/4885CCND3 4440/4885
US-10682352-B2 Compound having mutant IDH inhibitory activity, preparation method and use thereof IDH1, IDH3A, IDH2 CDK4 2218/4885CCND1 3808/4885CCND3 4440/4885

“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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