SCHEMBL14212420

SCHEMBL14212420

CC(C)(C)c1cc2cccn2cn1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.36
ALOX15 P16050 1/20 0.35
CHRNA7 P36544 1/20 0.33
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
CBLB Q13191 1/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL18687183 0.80 GRM4 (0.32) GRM4CHRNA7
SCHEMBL6921897 0.75 ALOX15 (0.39) GRM4ALOX15CHRNA7ALDH1A1CBLB
SCHEMBL23691864 0.74 GRM4 (0.34) GRM4ALOX15CHRNA7CBLB
SCHEMBL20853026 0.72 PRKCI (0.31)
SCHEMBL23937809 0.71 PLK4 (0.41) GRM4ALOX15CHRNA7ALDH1A1SMN1; SMN2
SCHEMBL20852941 0.70 SCN5A (0.36) ALDH1A1SMN1; SMN2TSHRHTTLMNA
SCHEMBL24037317 0.70 ALOX15 (0.35) GRM4ALOX15ALDH1A1HSD17B10
SCHEMBL12248509 0.70 GRM4 (0.36) GRM4ALOX15CHRNA7ALDH1A1SMN1; SMN2
SCHEMBL14234175 0.70 GRM4 (0.36) GRM4ALOX15CHRNA7CBLB
SCHEMBL20852791 0.68 SSTR4 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814379-B2 Cyano quinoline amide compounds as HER2 inhibitors and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-11-14 US disclosed
US-11814379-B2 Cyano quinoline amide compounds as HER2 inhibitors and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-11-14 US disclosed
US-20210355119-A1 CYANO QUINOLINE AMIDE COMPOUNDS AS HER2 INHIBITORS AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. 2021-11-18 US disclosed
US-20210230157-A1 PAIN TREATING COMPOUNDS AND USES THEREOF BIONOMICS LIMITED (AU) 2021-07-29 US disclosed
US-10828305-B2 Nitrogenous heterocyclic compound, preparation method, intermediate, composition and use SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2020-11-10 US disclosed
US-20190091226-A1 NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND USE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2019-03-28 US disclosed
US-20180105503-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-04-19 US disclosed
US-20180105503-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-04-19 US disclosed
US-9771337-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-09-26 US disclosed
US-9771337-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-09-26 US disclosed
US-20170088526-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-03-30 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-20120309724-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-12-06 US 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 (8 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-20120309724-A1 NEPRILYSIN INHIBITORS MME, REN, ACE GRM4 3531/4885ALOX15 4236/4885CHRNA7 849/4885
US-11814379-B2 Cyano quinoline amide compounds as HER2 inhibitors and methods of use ERBB2, EGFR, ERBB3 GRM4 3871/4885ALOX15 3393/4885CHRNA7 1058/4885
US-20210230157-A1 PAIN TREATING COMPOUNDS AND USES THEREOF TRPV1, TRPA1, TRPV3 GRM4 205/4885ALOX15 289/4885CHRNA7 263/4885
US-20190091226-A1 NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND USE ERBB2, EGFR, ERBB4 GRM4 3295/4885ALOX15 2841/4885CHRNA7 2278/4885
US-20180105503-A1 NEPRILYSIN INHIBITORS MME, REN, ACE GRM4 3531/4885ALOX15 4236/4885CHRNA7 849/4885
US-20170088526-A1 NEPRILYSIN INHIBITORS MME, REN, ACE GRM4 3531/4885ALOX15 4236/4885CHRNA7 849/4885
US-20210355119-A1 CYANO QUINOLINE AMIDE COMPOUNDS AS HER2 INHIBITORS AND METHODS OF USE ERBB2, EGFR, ERBB3 GRM4 3942/4885ALOX15 3228/4885CHRNA7 1016/4885
US-10828305-B2 Nitrogenous heterocyclic compound, preparation method, intermediate, composition and use ERBB2, EGFR, ERBB4 GRM4 3295/4885ALOX15 2841/4885CHRNA7 2278/4885

“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.