SCHEMBL562812

SCHEMBL562812

Cc1cc(C(F)(F)F)c(C#N)c(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 17/20 1.00
ALDH1A1 P00352 14/20 1.00
GLA P06280 13/20 1.00
GAA P10253 12/20 1.00
HPGD P15428 11/20 1.00
TP53 P04637 1/20 1.00
ATM Q13315 2/20 0.62
HSD17B10 Q99714 3/20 0.59
POLB P06746 1/20 0.59
KMT2A Q03164 4/20 0.56
HTT P42858 3/20 0.56
MAPT P10636 2/20 0.56
MEN1 O00255 3/20 0.55
LMNA P02545 2/20 0.55
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
PIM1 P11309 1/20 0.49

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
SCHEMBL17887448 0.84 KDM4E (0.72) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL18496673 0.84 KDM4E (0.72) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL4888217 0.79 ALDH1A1 (0.66) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL1694465 0.76 KDM4E (0.62) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL30785581 0.76 KDM4E (0.60) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL2267098 0.73 KDM4E (1.00) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL2593981 0.73 KDM4E (0.60) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL2587156 0.73 KDM4E (0.57) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL28600246 0.72 ALDH1A1 (0.89) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL2089578 0.72 ALDH1A1 (0.80) KDM4EALDH1A1GLAGAAHPGD

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118852123-A Novel heterocyclic compounds as Pol theta inhibitors for the treatment and prevention of cancer and pharmaceutical compositions containing the same 株式会社大熊制药 2024-10-29 CN disclosed
US-20240165121-A1 SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2024-05-23 US disclosed
EP-4010080-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LTD (GB) 2023-09-27 EP disclosed
US-20230242503-A9 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2023-08-03 US disclosed
US-20230242503-A9 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2023-08-03 US disclosed
US-11642348-B2 Substituted benzene compounds Epizyme, Inc. (US) 2023-05-09 US disclosed
US-11642348-B2 Substituted benzene compounds Epizyme, Inc. (US) 2023-05-09 US disclosed
US-11642348-B2 Substituted benzene compounds Epizyme, Inc. (US) 2023-05-09 US disclosed
WO-2023067354-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2023-04-27 WO disclosed
US-20220298134-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2022-09-22 US disclosed
US-20140142083-A1 Substituted Benzene Compounds Epizyme, Inc. (US) 2014-05-22 US disclosed
WO-2014062733-A2 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2014-04-24 WO disclosed
WO-2014062733-A2 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2014-04-24 WO disclosed
EP-2697198-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2014-02-19 EP disclosed
WO-2012142513-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2012-10-18 WO disclosed
EP-2420492-A1 METHOD FOR PRODUCING 2-HALOGENO-6-SUBSTITUTED-4-TRIFLUOROMETHYLPYRIDINE Ishihara Sangyo Kaisha, Ltd. (JP) 2012-02-22 EP disclosed
US-20120035372-A1 METHOD FOR PRODUCING 2-HALOGENO-6-SUBSTITUTED-4-TRIFLUOROMETHYLPYRIDINE ISHIHARA SANGYO KAISHA, LTD. (JP) 2012-02-09 US disclosed
EP-0104876-B1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1991-12-27 EP disclosed
US-4631081-A Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1986-12-23 US disclosed
EP-0104876-A2 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1984-04-04 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 (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-20230242503-A9 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER SDHA, SDHB, NQO1 KDM4E 1609/4885ALDH1A1 97/4885GLA 500/4885
US-20220298134-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER SDHA, SDHB, NQO1 KDM4E 1609/4885ALDH1A1 97/4885GLA 500/4885
US-20240165121-A1 SUBSTITUTED BENZENE COMPOUNDS CYP1B1, TP53, VHL KDM4E 711/4885ALDH1A1 358/4885GLA 2461/4885
US-20140142083-A1 Substituted Benzene Compounds CYP1B1, TP53, VHL KDM4E 711/4885ALDH1A1 358/4885GLA 2461/4885
US-20120035372-A1 METHOD FOR PRODUCING 2-HALOGENO-6-SUBSTITUTED-4-TRIFLUOROMETHYLPYRIDINE RDX, CYP4X1, BRIX1 KDM4E 447/4885ALDH1A1 1871/4885GLA 2441/4885
US-11642348-B2 Substituted benzene compounds CYP1B1, TP53, VHL KDM4E 711/4885ALDH1A1 358/4885GLA 2461/4885

“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.