SCHEMBL17792774

SCHEMBL17792774

C=CC(=O)Nc1cc(Nc2ncc(Cl)c(Nc3ccc4ccccc4c3)n2)c(OC)cc1N1CCC(N(C)C)CC1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.68
▸ ALK Q9UM73 2/20 0.63
▸ INSR P06213 1/20 0.62
▸ IGF1R P08069 1/20 0.62
▸ KCNH2 Q12809 1/20 0.62

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
SCHEMBL17792917 0.96 EGFR (0.68) EGFRALKINSRIGF1RKCNH2
SCHEMBL17792919 0.93 EGFR (0.67) EGFRALKINSRIGF1RKCNH2
SCHEMBL17792889 0.90 EGFR (0.72) EGFRALKIGF1RKCNH2
SCHEMBL17792850 0.89 EGFR (0.68) EGFRALKIGF1RKCNH2
SCHEMBL17792765 0.89 EGFR (0.68) EGFRALKIGF1RKCNH2
SCHEMBL15531748 0.88 EGFR (0.72) EGFRALKINSRIGF1RKCNH2
SCHEMBL19424179 0.88 EGFR (0.62) EGFRALKIGF1RKCNH2
SCHEMBL17792893 0.88 EGFR (0.73) EGFRALKIGF1RKCNH2
SCHEMBL23248556 0.86 EGFR (0.71) EGFRALKINSRIGF1RKCNH2
SCHEMBL17196832 0.86 EGFR (0.74) EGFRALKINSRIGF1RKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170283398-A1 2-AMINOPYRIMIDINE COMPOUND AND PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-10-05 — — US disclosed
US-20170283398-A1 2-AMINOPYRIMIDINE COMPOUND AND PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-10-05 — — US disclosed
EP-3225619-A1 2-AMINOPYRIMIDINE COMPOUND AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Institute Of Materia Medica Chinese Academy of Sciences (CN) 2017-10-04 — — EP disclosed
WO-2016082713-A1 2-AMINOPYRIMIDINE COMPOUND AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 中国科学院上海药物研究所 2016-06-02 — — 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 (1 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-20170283398-A1 2-AMINOPYRIMIDINE COMPOUND AND PHARMACEUTICAL COMPOSITION AND USE THEREOF EGFR, ERBB2, IGF1R EGFR 1/4885ALK 177/4885INSR 147/4885

“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.

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