SCHEMBL6921897

SCHEMBL6921897

Cc1cc2cccn2cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.39
GRM4 Q14833 4/20 0.38
CHRNA7 P36544 1/20 0.38
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
CBLB Q13191 1/20 0.34
CYP2A6 P11509 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2E1 P05181 1/20 0.33
CHEK1 O14757 1/20 0.32
LIMK1 P53667 1/20 0.32
MAPK14 Q16539 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
UHRF1 Q96T88 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32

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
SCHEMBL12647741 0.76 CHRNA7 (0.48) ALOX15GRM4CHRNA7ALDH1A1MAPT
SCHEMBL23937809 0.75 PLK4 (0.41) ALOX15GRM4CHRNA7ALDH1A1MAPT
SCHEMBL12248509 0.75 GRM4 (0.36) ALOX15GRM4CHRNA7ALDH1A1MAPT
SCHEMBL14234175 0.75 GRM4 (0.36) ALOX15GRM4CHRNA7CBLBCYP1A2
SCHEMBL14212420 0.75 GRM4 (0.36) ALOX15GRM4CHRNA7ALDH1A1CBLB
SCHEMBL1758975 0.73 CHRNA7 (0.49) ALOX15GRM4CHRNA7ALDH1A1MAPT
SCHEMBL30322673 0.73 CHRNA7 (0.52) ALOX15GRM4CHRNA7CBLBKMT2A
SCHEMBL12664187 0.72 CHRNA7 (0.45) ALOX15GRM4CHRNA7ALDH1A1MAPT
SCHEMBL16864227 0.72 CHRNA7 (0.48) ALOX15GRM4CHRNA7ALDH1A1MAPT
Hydrochloric Acid SCHEMBL5917945 0.72 CHRNA7 (0.48) ALOX15GRM4CHRNA7ALDH1A1MAPT

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023215367-A1 BICYCLIC PIPERAZINONES AND THERAPEUTIC USES THEREOF CYTOKINETICS, INC. (US) 2023-11-09 WO disclosed
EP-2831073-B1 NOVEL 3,5-DISUBSTITUED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUED -3H-[1,2,3]TRIAZOLO[4,5-B]PYRIDINE COMPOUNDS AS MODULATORS OF C-MET PROTEIN KINASES RHIZEN PHARMACEUTICALS S A (CH) 2020-12-09 EP disclosed
WO-2020021064-A1 SUBSTITUTED QUINAZOLINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4 DOMAIN THERAPEUTICS (FR) 2020-01-30 WO disclosed
EP-3424928-A1 NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND USE Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2019-01-09 EP disclosed
US-9771337-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-09-26 US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
US-20170088526-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-03-30 US disclosed
US-9499487-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-11-22 US disclosed
US-8962627-B2 Oxime derivatives and their use as allosteric modulators of metabotropic glutamate receptors PRESTWICK CHEMICAL, INC. (FR) 2015-02-24 US disclosed
US-20120277212-A1 Novel Oxime Derivatives and Their Use As Allosteric Modulators of Metabotropic Glutamate Receptors PRESTWICK CHEMICAL, INC. (FR) 2012-11-01 US disclosed
US-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-09-29 US disclosed
WO-2011051478-A1 NOVEL OXIME DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2011-05-05 WO disclosed
WO-2010047372-A1 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY 塩野義製薬株式会社 (JP) 2010-04-29 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 (4 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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT ALOX15 4836/4885GRM4 2092/4885CHRNA7 4602/4885
US-20120277212-A1 Novel Oxime Derivatives and Their Use As Allosteric Modulators of Metabotropic Glutamate Receptors GRM4, GRM1, GRM2 ALOX15 1466/4885GRM4 1/4885CHRNA7 94/4885
US-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY BACE1, APP, BACE2 ALOX15 4276/4885GRM4 2438/4885CHRNA7 665/4885
US-20170088526-A1 NEPRILYSIN INHIBITORS MME, REN, ACE ALOX15 4236/4885GRM4 3531/4885CHRNA7 849/4885

“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.