SCHEMBL21743424

SCHEMBL21743424

Cc1nc2cc[nH]c2cc1C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.37
▸ CYP3A4 P08684 2/20 0.36
▸ CYP1A2 P05177 2/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ HPGD P15428 2/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32
▸ APP P05067 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ DHFR P00374 2/20 0.31
▸ PAK3 O75914 2/20 0.30
▸ PAK1 Q13153 2/20 0.30
▸ PAK2 Q13177 2/20 0.30
▸ USP2 O75604 2/20 0.30
▸ MAPT P10636 2/20 0.30
▸ MEN1 O00255 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL11985801 0.77 BRD4 (0.41) BRD4CYP3A4CYP1A2ALDH1A1KDM4E
SCHEMBL22509486 0.74 BRD4 (0.34) BRD4APP
SCHEMBL22004970 0.74 HPGD (0.43) BRD4CYP3A4ALDH1A1KDM4EHPGD
SCHEMBL19701194 0.74 CSNK2A1 (0.43) BRD4CYP3A4ALDH1A1KDM4EHPGD
SCHEMBL21672437 0.73 BRD4 (0.38) BRD4CYP3A4CYP1A2ALDH1A1KDM4E
SCHEMBL12146427 0.73 CDK8 (0.36) BRD4
SCHEMBL16744197 0.71 GPR84 (0.48) CYP3A4CYP1A2ALOX15USP2MAPT
SCHEMBL5367102 0.68 PAK1 (0.38) CYP3A4CYP1A2ALOX15PAK3PAK1
SCHEMBL12388168 0.68 ALDH1A1 (0.55) CYP1A2ALDH1A1KDM4EHPGDLMNA
SCHEMBL22792806 0.68 APP (0.32) CYP3A4APPPAK3PAK1PAK2

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
US-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme, Inc. 2023-11-16 — — US disclosed
US-11672800-B2 Combination therapies with EHMT2 inhibitors Epizyme, Inc. (US) 2023-06-13 — — US disclosed
US-20210213014-A1 METHODS OF USING EHMT2 INHIBITORS IN IMMUNOTHERAPIES Epizyme, Inc. 2021-07-15 — — US disclosed
US-20200317642-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND DERIVATIVES THEREOF Epizyme, Inc. 2020-10-08 — — US disclosed
US-20200113901-A1 METHODS OF USING EHMT2 INHIBITORS Epizyme, Inc. 2020-04-16 — — US disclosed
US-20200054635-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme, Inc. 2020-02-20 — — US 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 (6 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-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS EHMT2, BHMT, SHMT2 BRD4 544/4885CYP3A4 3994/4885CYP1A2 2958/4885
US-20200317642-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND DERIVATIVES THEREOF HNMT, EHMT2, SHMT2 BRD4 361/4885CYP3A4 3100/4885CYP1A2 1253/4885
US-20200054635-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS EHMT2, BHMT, SHMT2 BRD4 544/4885CYP3A4 3994/4885CYP1A2 2958/4885
US-20200113901-A1 METHODS OF USING EHMT2 INHIBITORS EHMT2, EHMT1, BHMT BRD4 1038/4885CYP3A4 2958/4885CYP1A2 1159/4885
US-11672800-B2 Combination therapies with EHMT2 inhibitors EHMT2, BHMT, SHMT2 BRD4 544/4885CYP3A4 3994/4885CYP1A2 2958/4885
US-20210213014-A1 METHODS OF USING EHMT2 INHIBITORS IN IMMUNOTHERAPIES EHMT2, BHMT2, BHMT BRD4 764/4885CYP3A4 4060/4885CYP1A2 2038/4885

“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.

Send feedback