SCHEMBL2596458

SCHEMBL2596458

COC(=O)c1cc(C#N)c(N)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.60
KDM4E B2RXH2 9/20 0.58
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 8/20 0.44
HPGD P15428 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 3/20 0.44
RXFP1 Q9HBX9 2/20 0.44
LMNA P02545 1/20 0.44
USP2 O75604 1/20 0.42
HSD17B10 Q99714 2/20 0.41
GLA P06280 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL16410988 0.88 KDM4E (0.68) GAAKDM4EPOLBSMN1; SMN2ALDH1A1
SCHEMBL9721882 0.86 ALDH1A1 (0.50) GAAKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL9721621 0.85 KDM4E (0.58) GAAKDM4EPOLBSMN1; SMN2ALDH1A1
SCHEMBL8902218 0.85 GAA (0.55) GAAKDM4EPOLBSMN1; SMN2ALDH1A1
SCHEMBL5499599 0.83 GAA (0.50) GAAKDM4EPOLBSMN1; SMN2ALDH1A1
SCHEMBL23604413 0.83 GAA (0.56) GAAKDM4EPOLBSMN1; SMN2ALDH1A1
SCHEMBL29424850 0.81 GAA (0.74) GAAKDM4EPOLBSMN1; SMN2ALDH1A1
SCHEMBL6473999 0.81 GAA (0.74) GAAKDM4EPOLBSMN1; SMN2ALDH1A1
SCHEMBL5457596 0.81 GAA (0.51) GAAKDM4EPOLBSMN1; SMN2ALDH1A1
SCHEMBL11568484 0.80 KDM4E (0.76) GAAKDM4EPOLBSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3743068-B1 COMPOUNDS FOR THE TREATMENT OF KINASE-DEPENDENT DISORDERS EXELIXIS INC (US) 2026-04-29 EP disclosed
US-12195475-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2025-01-14 US disclosed
CN-112312909-B Compounds for the treatment of kinase dependent disorders 埃克塞里艾克西斯公司 2024-07-02 CN disclosed
US-20230374024-A1 Compounds for the Treatment of Kinase-Dependent Disorders EXELIXIS, INC. 2023-11-23 US disclosed
US-20230374024-A1 Compounds for the Treatment of Kinase-Dependent Disorders EXELIXIS, INC. 2023-11-23 US disclosed
US-11708367-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2023-07-25 US disclosed
US-11708367-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2023-07-25 US disclosed
US-20210040099-A1 Compounds for the Treatment of Kinase-Dependent Disorders EXELIXIS, INC. 2021-02-11 US disclosed
US-20210040099-A1 Compounds for the Treatment of Kinase-Dependent Disorders EXELIXIS, INC. 2021-02-11 US disclosed
EP-3743068-A1 COMPOUNDS FOR THE TREATMENT OF KINASE-DEPENDENT DISORDERS Exelixis, Inc. (US) 2020-12-02 EP 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
CN-102892765-B Cyclohexylamine derivatives having beta 2 adrenergic agonist and M3 muscarinic antagonist activity ALMIRALL SA 2015-04-29 CN 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
EP-2569308-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING 2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES Almirall S.A. (ES) 2013-03-20 EP disclosed
US-20130053359-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING beta2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES PRAT QUINONES MARIA (ES) 2013-02-28 US disclosed
CN-102892765-A Novel cyclohexylamine derivatives having beta 2 adrenergic agonist and M3 muscarinic antagonist activity ALMIRALL SA 2013-01-23 CN disclosed
WO-2011141180-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING β2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2011-11-17 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 (7 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 GAA 3653/4885KDM4E 3592/4885POLB 3168/4885
US-11708367-B2 Compounds for the treatment of kinase-dependent disorders ERBB2, ERBB3, MAP3K6 GAA 403/4885KDM4E 2929/4885POLB 2147/4885
US-20210040099-A1 Compounds for the Treatment of Kinase-Dependent Disorders ERBB2, ERBB3, MAP3K6 GAA 403/4885KDM4E 2929/4885POLB 2147/4885
US-20230374024-A1 Compounds for the Treatment of Kinase-Dependent Disorders ERBB2, ERBB3, MAP3K6 GAA 403/4885KDM4E 2929/4885POLB 2147/4885
US-20130281415-A9 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 GAA 3174/4885KDM4E 3728/4885POLB 2770/4885
US-20130053359-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING beta2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 GAA 3262/4885KDM4E 3836/4885POLB 2803/4885
US-12195475-B2 Compounds for the treatment of kinase-dependent disorders ERBB2, ERBB3, MAP3K6 GAA 403/4885KDM4E 2929/4885POLB 2147/4885

“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.