SCHEMBL19402272

SCHEMBL19402272

NC1(c2cn(CC3CCCCC3)cn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 2/20 0.42
▸ CYP2B6 P20813 1/20 0.41
▸ CPB2 Q96IY4 2/20 0.39
▸ CPB1 P15086 1/20 0.36
▸ PHF8 Q9UPP1 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ CYP11B2 P19099 1/20 0.34
▸ WDR5 P61964 2/20 0.34
▸ PKM P14618 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ OPRM1 P35372 3/20 0.32
▸ OPRL1 P41146 3/20 0.32
▸ OPRK1 P41145 2/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ CNR2 P34972 1/20 0.31
▸ KDM2B Q8NHM5 1/20 0.31
▸ OPRD1 P41143 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
SCHEMBL19402274 0.98 KDM4C (0.40) KDM4CCYP2B6CPB2CPB1PHF8
Hydrochloric Acid SCHEMBL23389293 0.72 KDM4C (0.44) KDM4CCYP2B6CPB2CPB1PHF8
SCHEMBL29910399 0.72 CYP2B6 (0.47) KDM4CCYP2B6CPB2PHF8NPC1
Hydrochloric Acid SCHEMBL23389331 0.69 CPB2 (0.43) KDM4CCYP2B6CPB2CPB1PHF8
SCHEMBL22833771 0.67 KDM4C (0.42) KDM4CCYP2B6CPB2PHF8NPC1
SCHEMBL22854663 0.66 PHF8 (0.45) KDM4CCYP2B6CPB2CPB1PHF8
SCHEMBL16972901 0.66 PHF8 (0.45) KDM4CCYP2B6CPB2PHF8CYP11B2
Hydrochloric Acid SCHEMBL22833576 0.65 PHF8 (0.44) KDM4CCYP2B6CPB2CPB1PHF8
Hydrochloric Acid SCHEMBL23389343 0.65 PHF8 (0.44) KDM4CCYP2B6CPB2CPB1PHF8
SCHEMBL23389217 0.65 L3MBTL1 (0.44) KDM4CCYP2B6CPB2PHF8WDR5

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 9 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
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
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 KDM4C 1044/4885CYP2B6 555/4885CPB2 3742/4885
US-10682352-B2 Compound having mutant IDH inhibitory activity, preparation method and use thereof IDH1, IDH3A, IDH2 KDM4C 1044/4885CYP2B6 555/4885CPB2 3742/4885

“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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