SCHEMBL2596435

SCHEMBL2596435

COc1cc(N)c(F)cc1C#N

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
AR P10275 14/20 0.42
HTR2A P28223 1/20 0.41
IMPDH2 P12268 1/20 0.41
IMPDH1 P20839 1/20 0.41
PGR P06401 1/20 0.40
KHK P50053 1/20 0.40
P2RX3 P56373 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38

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
SCHEMBL29559694 1.00 KDM4E (0.53) KDM4EUSP2ALDH1A1ARHTR2A
SCHEMBL21996461 0.85 ALDH1A1 (0.49) KDM4EUSP2ALDH1A1ARHTR2A
SCHEMBL286978 0.84 KDM4E (0.50) KDM4EUSP2ALDH1A1ARHTR2A
SCHEMBL1511834 0.84 ALDH1A1 (0.60) KDM4EUSP2ALDH1A1ARIMPDH2
SCHEMBL6833436 0.82 GAA (0.53) KDM4EUSP2ALDH1A1ARPGR
SCHEMBL8777864 0.82 ALDH1A1 (0.58) KDM4EUSP2ALDH1A1ARHTR2A
SCHEMBL3425063 0.82 KDM4E (0.48) KDM4EUSP2ALDH1A1ARHTR2A
Hydrochloric Acid SCHEMBL11411334 0.81 ALDH1A1 (0.56) KDM4EUSP2ALDH1A1ARHTR2A
SCHEMBL6505718 0.81 ALDH1A1 (0.45) KDM4EUSP2ALDH1A1ARHTR2A
SCHEMBL7492449 0.81 CYP11B1 (0.42) KDM4EUSP2ALDH1A1KHK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4658658-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND Uppthera, Inc. (KR) 2025-12-10 EP disclosed
CN-119790057-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2025-04-08 CN disclosed
WO-2024162828-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2024-08-08 WO disclosed
WO-2022011274-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 GOLDFINCH BIO, INC. (US) 2022-01-13 WO disclosed
WO-2022011274-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 GOLDFINCH BIO, INC. (US) 2022-01-13 WO disclosed
US-9643961-B2 Cyclohexylamine derivatives having β2 adrenergic antagonist and M3 muscarinic antagonist activities ALMIRALL, S.A. (ES) 2017-05-09 US disclosed
EP-2569308-B1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL SA (ES) 2016-11-23 EP disclosed
US-20160264557-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2016-09-15 US disclosed
US-9315463-B2 Cyclohexylamine derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities ALMIRALL, S.A. (ES) 2016-04-19 US disclosed
US-20130281415-A9 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2013-10-24 US disclosed
US-20040043903-A1 Herbicides; applying to plants BASF AKTIENGESELLSCHAFT (DE) 2004-03-04 US disclosed
WO-2003087045-A1 NOVEL METHOXYBENZAMIDE COMPOUNDS FOR USE IN MCH RECEPTOR RELATED DISORDERS 7TM PHARMA A/S (DK) 2003-10-23 WO disclosed
EP-1335903-A1 2-ARYL-5-TRIFLUOROMETHYLPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2003-08-20 EP disclosed
US-6573219-B1 Herbicides BAYER AKTIENGESELLSCHAFT (DE) 2003-06-03 US disclosed
WO-2002042275-A1 2-ARYL-5-TRIFLUOROMETHYLPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2002-05-30 WO disclosed
EP-1208098-A2 SUBSTITUTED HETEROCYCLYL-2H-CHROMENES Bayer Aktiengesellschaft (DE) 2002-05-29 EP disclosed
WO-2001010862-A2 SUBSTITUTED HETEROCYCLYBENZOFURANES BAYER AKTIENGESELLSCHAFT (DE) 2001-02-15 WO disclosed
WO-2001010861-A2 SUBSTITUTED HETEROCYCLYL-2H-CHROMENES BAYER AKTIENGESELLSCHAFT (DE) 2001-02-15 WO disclosed
EP-1070055-A1 SUBSTITUTED PHENYL PYRIDAZINONES Bayer Aktiengesellschaft (DE) 2001-01-24 EP disclosed
WO-1999052878-A1 SUBSTITUTED PHENYL PYRIDAZINONES BAYER AKTIENGESELLSCHAFT (DE) 1999-10-21 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 (3 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-20160264557-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 KDM4E 3592/4885USP2 1298/4885ALDH1A1 1707/4885
US-20130281415-A9 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 KDM4E 3728/4885USP2 1259/4885ALDH1A1 1849/4885
US-20040043903-A1 Herbicides; applying to plants DDT, DRD1, DRD4 KDM4E 2215/4885USP2 1745/4885ALDH1A1 171/4885

“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.