SCHEMBL5675046

SCHEMBL5675046

C=CC(=O)N(C(=O)C=C)c1ncc2ccccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 2/20 0.45
▸ CCNA2 P20248 8/20 0.41
▸ CDK2 P24941 8/20 0.41
▸ CDK7 P50613 8/20 0.41
▸ CCNH P51946 8/20 0.41
▸ MNAT1 P51948 8/20 0.41
▸ CCNK O75909 7/20 0.41
▸ CDK12 Q9NYV4 7/20 0.41
▸ MGAM O43451 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ MAP3K5 Q99683 1/20 0.35
▸ AKT1 P31749 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ GPR3 P46089 1/20 0.33

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
SCHEMBL28565830 0.71 TLR8 (0.37) CYP1A2RAB9AKDM4EGPR3
SCHEMBL31391395 0.70 CYP1A2 (0.56) CYP1A2KDM4ELMNAGPR3
SCHEMBL12003727 0.70 CYP1A2 (0.56) CYP1A2KDM4ELMNAGPR3
SCHEMBL28347290 0.70 MAP3K5 (0.41) FGFR4CCNA2CDK2CCNKCDK12
SCHEMBL27864952 0.69 ALDH1A1 (0.35) FGFR4CCNA2CDK2CDK7CCNH
SCHEMBL6524322 0.69 CCNA2 (0.57) CCNA2CDK2CDK7CCNHMNAT1
SCHEMBL7034328 0.69 TLR8 (0.33) FGFR4CCNA2CDK2CDK7CCNH
SCHEMBL29427872 0.67 MGAM (0.50) MGAMMAP3K5RAB9AKDM4ELMNA
SCHEMBL2337793 0.67 MGAM (0.50) MGAMMAP3K5RAB9AKDM4ELMNA
SCHEMBL11292161 0.67 RAB9A (0.38) CCNA2CDK2CDK7CCNHMNAT1

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
CN-1745073-A Preparation of substituted quinazolines WARNER LAMBERT CO (US) 2006-03-08 — — CN disclosed
EP-1618095-A2 PREPARATION OF SUBSTITUTED QUINAZOLINES Warner-Lambert Company LLC (US) 2006-01-25 — — EP disclosed
WO-2004069791-A3 PREPARATION OF SUBSTITUTED QUINAZOLINES WARNER LAMBERT CO (US) 2004-12-16 — — WO disclosed
WO-2004069791-A2 PREPARATION OF SUBSTITUTED QUINAZOLINES WARNER-LAMBERT COMPANY LLC (US) 2004-08-19 — — WO disclosed
US-20040158065-A1 Preparation of substituted quinazolines BARTH HUBERT (DE) 2004-08-12 — — 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-20040158065-A1 Preparation of substituted quinazolines RAF1, CDKN1A, MAP3K1 FGFR4 1448/4885CCNA2 397/4885CDK2 13/4885

“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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