SCHEMBL4119455

SCHEMBL4119455

Clc1ccc2ncncc2n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.43
RPS6KA5 O75582 4/20 0.42
RPS6KA4 O75676 2/20 0.42
FGFR4 P22455 1/20 0.37
PIK3CD O00329 2/20 0.36
PIK3CA P42336 1/20 0.36
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 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
SCHEMBL29746864 1.00 EGFR (0.43) EGFRRPS6KA5RPS6KA4FGFR4PIK3CD
SCHEMBL30668008 0.79 ALDH1A1 (0.31) PIK3CDALDH1A1CRHBPCRHR2
SCHEMBL26111376 0.78 EGFR (0.52) EGFRPIK3CDPIK3CA
SCHEMBL31352848 0.78 EGFR (0.52) EGFRPIK3CDPIK3CA
SCHEMBL10044572 0.74 EGFR (0.43) EGFRPIK3CDPIK3CACYP1A2ALDH1A1
SCHEMBL15885495 0.74 PIK3CD (0.41) EGFRPIK3CDPIK3CAALDH1A1
SCHEMBL1294228 0.72 TDP1 (0.45) PIK3CDTSHRALDH1A1CRHBPCRHR2
SCHEMBL31405448 0.71 ALDH1A1 (0.37) EGFRRPS6KA5RPS6KA4PIK3CDALDH1A1
SCHEMBL1320635 0.71 ALDH1A1 (0.37) EGFRRPS6KA5RPS6KA4PIK3CDALDH1A1
SCHEMBL29961230 0.71 RPS6KA5 (0.44) EGFRRPS6KA5RPS6KA4FGFR4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021083186-A1 PIPERIDINAMINE COMPOUND CONTAINING FUSED RING PYRIMIDINE, PREPARATION METHOD THEREFOR AND USE THEREOF 沈阳中化农药化工研发有限公司 2021-05-06 WO claimed
US-11584759-B2 Macrocyclic kinase inhibitor HITGEN INC. (CN) 2023-02-21 US disclosed
EP-3783000-B1 MACROCYCLIC KINASE INHIBITOR HITGEN INC (CN) 2022-07-06 EP disclosed
WO-2021083186-A1 PIPERIDINAMINE COMPOUND CONTAINING FUSED RING PYRIMIDINE, PREPARATION METHOD THEREFOR AND USE THEREOF 沈阳中化农药化工研发有限公司 2021-05-06 WO disclosed
EP-3630759-A1 ION CHANNEL INHIBITOR COMPOUNDS FOR CANCER TREATMENT Centre National De La Recherche Scientifique (FR) 2020-04-08 EP disclosed
WO-2018215557-A1 ION CHANNEL INHIBITOR COMPOUNDS FOR CANCER TREATMENT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-11-29 WO disclosed
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-02-05 US disclosed
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2008-01-03 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-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP EGFR 3724/4885RPS6KA5 2501/4885RPS6KA4 3167/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP EGFR 3724/4885RPS6KA5 2501/4885RPS6KA4 3167/4885
US-11584759-B2 Macrocyclic kinase inhibitor MAP3K20, TNK2, NTRK1 EGFR 165/4885RPS6KA5 141/4885RPS6KA4 123/4885

“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.