SCHEMBL7212186

SCHEMBL7212186

Cc1cc(C#N)ccc1CN

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.47
CYP2A6 P11509 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NSD2 O96028 2/20 0.37
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
EGLN2 Q96KS0 3/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
AR P10275 3/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
ADRA2C P18825 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
HTR2A P28223 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
Hydrochloric Acid SCHEMBL20840172 0.98 LOXL2 (0.45) LOXL2CYP2A6ALDH1A1NSD2KDM5A
SCHEMBL18934890 0.84 LOXL2 (0.47) LOXL2CYP2A6ALDH1A1NSD2FFAR1
SCHEMBL2153680 0.83 CYP2A6 (0.44) LOXL2CYP2A6ALDH1A1KDM5AKDM4C
SCHEMBL2154771 0.83 CYP2A6 (0.44) LOXL2CYP2A6ALDH1A1KDM5AKDM4C
SCHEMBL12763619 0.82 CYP2A6 (0.48) LOXL2CYP2A6ALDH1A1KDM5AKDM4C
SCHEMBL21995424 0.80 CYP2A6 (0.41) LOXL2CYP2A6ALDH1A1KDM5AKDM4C
SCHEMBL22954538 0.80 LOXL2 (0.37) LOXL2
SCHEMBL20864209 0.80 CYP2A6 (0.41) LOXL2CYP2A6ALDH1A1KDM5AKDM4C
SCHEMBL3715551 0.80 CYP2A6 (0.41) LOXL2CYP2A6ALDH1A1KDM5AKDM4C
SCHEMBL410177 0.80 CYP2A6 (0.41) LOXL2CYP2A6ALDH1A1KDM5AKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110234630-B Phenylimidazolines having aminomethyl groups Compound or salt thereof and process for producing the same 三菱瓦斯化学株式会社 2023-02-03 CN claimed
WO-2022271679-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2022-12-29 WO disclosed
US-20200277262-A1 N-(CYANO-SUBSTITUTED BENZYL OR PYRIDINYLMETHYL)-3-HYDROXYPICOLINAMIDE DERIVATIVES JONES BENJAMIN (US) 2020-09-03 US disclosed
US-20200277262-A1 N-(CYANO-SUBSTITUTED BENZYL OR PYRIDINYLMETHYL)-3-HYDROXYPICOLINAMIDE DERIVATIVES JONES BENJAMIN (US) 2020-09-03 US disclosed
EP-3676251-A1 N-(CYANO-SUBSTITUTED BENZYL OR PYRIDINYLMETHYL)-3-HYDROXYPICOLINAMIDE DERIVATIVES USEFUL AS HIF PROLYL HYDROXYLASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2020-07-08 EP disclosed
WO-2019060850-A1 N-(CYANO-SUBSTITUTED BENZYL OR PYRIDINYLMETHYL)-3-HYDROXYPICOLINAMIDE DERIVATIVES USEFUL AS HIF PROLYL HYDROXYLASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-03-28 WO disclosed
WO-2019060850-A1 N-(CYANO-SUBSTITUTED BENZYL OR PYRIDINYLMETHYL)-3-HYDROXYPICOLINAMIDE DERIVATIVES USEFUL AS HIF PROLYL HYDROXYLASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-03-28 WO disclosed
CN-105143201-B Benzyl amine derivative 卡尔维斯塔制药有限公司 2019-02-22 CN disclosed
US-9834513-B2 Benzylamine derivatives Kalvista Pharmceuticals Limited (GB) 2017-12-05 US disclosed
US-20170253561-A1 Benzylamine Derivatives KALVISTA PHARMACEUTICALS LTD (GB) 2017-09-07 US disclosed
EP-2943483-A1 BENZYLAMINE DERIVATIVES Kalvista Pharmaceuticals Limited (GB) 2015-11-18 EP disclosed
WO-2014108679-A1 BENZYLAMINE DERIVATIVES KALVISTA PHARMACEUTICALS LIMITED (GB) 2014-07-17 WO disclosed
WO-2014020350-A1 PAR2 RECEPTOR ANTAGONISTS PROXIMAGEN LIMITED (GB) 2014-02-06 WO disclosed
CN-100379722-C Compounds ASTRA ZENECA LTD (SE) 2008-04-09 CN disclosed
EP-1036061-B1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2003-09-24 EP disclosed
US-6337394-B2 N-ACYL-HETEROCYCLE-CARBOXYAMIDES THAT ARE N-SUBSTITUTED WITH AMIDINO-SUBSTITUTED RINGS; COMPETITIVE INHIBITORS OF THROMBIN; ANTICOAGULANTS ASTRAZENECA AB (SE) 2002-01-08 US disclosed
US-20010046981-A1 COMPOUNDS ASTRA AKTIEBOLAG (SE) 2001-11-29 US disclosed
CN-1284063-A Compounds ASTRA ZENECA LTD (SE) 2001-02-14 CN disclosed
EP-1036061-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2000-09-20 EP disclosed
WO-1999029664-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 1999-06-17 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 (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-20200277262-A1 N-(CYANO-SUBSTITUTED BENZYL OR PYRIDINYLMETHYL)-3-HYDROXYPICOLINAMIDE DERIVATIVES P4HA1, HRH3, HRH1 LOXL2 1915/4885CYP2A6 114/4885ALDH1A1 1144/4885
US-20010046981-A1 COMPOUNDS F2, SERPINC1, SERPINB1 LOXL2 1948/4885CYP2A6 1226/4885ALDH1A1 2984/4885
US-20170253561-A1 Benzylamine Derivatives BDKRB1, BDKRB2, KLKB1 LOXL2 2032/4885CYP2A6 1945/4885ALDH1A1 2364/4885

“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.