SCHEMBL29490052

SCHEMBL29490052

CC(c1cccs1)c1cccc2nc(N)nc(N)c12

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DCPS Q96C86 4/20 0.44
▸ DHFR P00374 10/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ ADORA2A P29274 1/20 0.40

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
SCHEMBL25247021 0.77 DHFR (0.49) DCPSDHFRKCNH2
SCHEMBL23500489 0.69 DHFR (0.64) DCPSDHFRKCNH2
SCHEMBL27446978 0.69 DHFR (0.55) DCPSDHFRKCNH2ADORA2A
SCHEMBL22289829 0.68 MEN1 (0.37) DHFRADORA2A
SCHEMBL1154364 0.67 DCPS (0.64) DCPSDHFRKCNH2
SCHEMBL1153306 0.66 DHFR (0.58) DCPSDHFRKCNH2
SCHEMBL2030838 0.66 ALOX5 (0.47) —
SCHEMBL27286635 0.66 DHFR (0.62) DCPSDHFR
SCHEMBL29740318 0.66 DCPS (0.61) DCPSDHFRKCNH2
SCHEMBL3340224 0.66 DCPS (0.61) DCPSDHFRKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11318137-B2 Quinazoline compounds as modulators of Ras signaling VANDERBILT UNIVERSITY (US) 2022-05-03 — — 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 (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-11318137-B2 Quinazoline compounds as modulators of Ras signaling NRAS, KRAS, MAVS DCPS 3927/4885DHFR 3944/4885KCNH2 2988/4885

“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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