SCHEMBL13633954

SCHEMBL13633954

N=C(Nc1c(Cl)ccc2c1OCO2)c1c(F)cc(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 7/20 0.42
EPHB4 P54760 10/20 0.41
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4029987 0.74 ACVRL1 (0.52) ACVRL1EPHB4RAB9ANPC1
SCHEMBL4259789 0.70 HTR3E (0.35) ACVRL1EPHB4RAB9ANPC1HTT
SCHEMBL4259923 0.68 SRC (0.56) EPHB4
Hydrochloric Acid SCHEMBL4256634 0.67 SRC (0.55) EPHB4
Hydrochloric Acid SCHEMBL27711731 0.66 EPHB4 (0.52) EPHB4
SCHEMBL5723655 0.65 RAB9A (0.43) ACVRL1RAB9ANPC1HTTSMN1; SMN2
SCHEMBL27711772 0.64 SRC (0.39) ACVRL1RAB9ANPC1HTTSMN1; SMN2
SCHEMBL3275997 0.64 ACVRL1 (0.48) ACVRL1EPHB4RAB9ANPC1KDM4E
SCHEMBL17204223 0.63 RAB9A (0.33) ACVRL1EPHB4RAB9ANPC1HTT
SCHEMBL16042631 0.62 RAB9A (0.36) RAB9ANPC1HTTKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871769-B1 CRYSTALLINE FORMS OF THE COMPOUND 4-(6-CHLORO-2,3-METHYLENEDIOXYANILINO)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-TETRAHYDROPYRAN-4-YLOXYQUINAZOLINE. ASTRAZENECA AB (SE) 2017-02-22 EP disclosed
US-8304417-B2 Crystalline forms of 4-(6-chloro-2,3-methylenedioxyanilino)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-tetrahydropyran-4-yloxyquinazoline ASTRAZENECA AB (SE) 2012-11-06 US disclosed
US-8304417-B2 Crystalline forms of 4-(6-chloro-2,3-methylenedioxyanilino)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-tetrahydropyran-4-yloxyquinazoline ASTRAZENECA AB (SE) 2012-11-06 US disclosed
US-20090099196-A1 Chemical Process ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099196-A1 Chemical Process ASTRAZENECA AB (SE) 2009-04-16 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 (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-20090099196-A1 Chemical Process CYP3A5, CYP3A43, CYP3A7 ACVRL1 4156/4885EPHB4 4067/4885RAB9A 2223/4885

“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.