SCHEMBL1748486

SCHEMBL1748486

Clc1ccc2cncnc2c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.60
NR4A2 P43354 1/20 0.52
PDGFRB P09619 1/20 0.51
PDGFRA P16234 1/20 0.51
TDO2 P48775 1/20 0.42
IMPDH2 P12268 2/20 0.40
FGFR4 P22455 1/20 0.40
CYP19A1 P11511 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
NOS1 P29475 1/20 0.38
DYRK1A Q13627 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
SCHEMBL29894443 1.00 EGFR (0.60) EGFRNR4A2PDGFRBPDGFRATDO2
SCHEMBL4147243 0.83 EGFR (0.60) EGFRNR4A2PDGFRBPDGFRATDO2
SCHEMBL28270347 0.81 MAP4K4 (0.50) EGFRTDO2PIK3CDPIK3CA
Formaldehyde SCHEMBL28252166 0.79 EGFR (0.55) EGFRPDGFRBPDGFRATDO2FGFR4
SCHEMBL8641138 0.78 EGFR (0.64) EGFRTDO2IMPDH2FGFR4PIK3CD
SCHEMBL28128185 0.78 EGFR (0.46) EGFRNR4A2PDGFRBPDGFRATDO2
SCHEMBL28049986 0.76 EGFR (0.55) EGFR
SCHEMBL559901 0.75 EGFR (0.60) EGFRPDGFRBPDGFRATDO2IMPDH2
SCHEMBL277540 0.75 EGFR (0.60) EGFRTDO2IMPDH2FGFR4PIK3CD
SCHEMBL21936740 0.75 EGFR (0.60) EGFRTDO2IMPDH2FGFR4PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117999075-A Compounds and pharmaceutical compositions comprising inhibitors of amyloid peptide interaction with glycosaminoglycans, methods of treatment, and uses thereof 吉斯莫治疗股份有限公司 2024-05-07 CN claimed
CN-113354591-B Synthesis of alkylamino quinazoline and its antineoplastic activity 广东湛江海洋医药研究院 2023-03-24 CN disclosed
CN-115124507-A Quinazoline derivative and preparation method and application thereof 沈阳药科大学 2022-09-30 CN disclosed
CN-107216317-A A kind of preparation method of afatinib intermediate 上海医药工业研究院 2017-09-29 CN disclosed
CN-106061480-A Therapeutic inhibitory compounds 莱福斯希医药公司 2016-10-26 CN disclosed
CN-104774184-A Alpha-cyano-alpha, beta-unsaturated amide compound and medical application thereof UNIV CHINA PHARMA 2015-07-15 CN disclosed
US-7968568-B2 [1-(4-chloro-3-ethoxy-benzyl)-piperidin-4-yl]-(2-chloro-pyrimidin-4-yl)-amine; somatostatin receptor subtype 5 (SSTR5) antagonists; diabetes mellitus HOFFMANN-LA ROCHE INC. (US) 2011-06-28 US disclosed
US-7863295-B2 Treatments for neuropathy CHILDREN'S MEDICAL CENTER CORPORATION (US) 2011-01-04 US disclosed
US-20100069413-A1 Pyrimidine and Quinazoline Derivatives CHRIST ANDREAS D 2010-03-18 US disclosed
US-7674804-B2 Pyrimidine and quinazoline derivatives as SST5 modulators HOFFMANN-LA ROCHE INC. (US) 2010-03-09 US disclosed
US-20090203735-A1 TREATMENTS FOR NEUROPATHY NIH-DEITR 2009-08-13 US disclosed
US-20080045550-A1 Pyrimidine and quinazoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 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 (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-20090203735-A1 TREATMENTS FOR NEUROPATHY NGF, BDNF, NTRK2 EGFR 950/4885NR4A2 772/4885PDGFRB 489/4885
US-20100069413-A1 Pyrimidine and Quinazoline Derivatives SSTR5, SSTR3, NPY5R EGFR 618/4885NR4A2 1409/4885PDGFRB 187/4885
US-20080045550-A1 Pyrimidine and quinazoline derivatives SSTR5, SSTR3, NPY5R EGFR 618/4885NR4A2 1409/4885PDGFRB 187/4885

“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.