SCHEMBL9945496

SCHEMBL9945496

Cc1cccc(Nc2nc(Cl)ncc2Br)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.61
NFKB1 P19838 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
SYK P43405 2/20 0.50
AURKA O14965 1/20 0.50
IGF1R P08069 2/20 0.49
MAPK1 P28482 1/20 0.48
POLB P06746 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CDK1 P06493 1/20 0.44
HTT P42858 1/20 0.44
HIF1A Q16665 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL30394764 0.85 EGFR (0.64) EGFRNFKB1AURKAPOLBHTT
SCHEMBL9945499 0.85 EGFR (0.64) EGFRNFKB1SYKAURKAPOLB
SCHEMBL9945497 0.85 EGFR (0.64) EGFRNFKB1AURKAPOLBHTT
SCHEMBL4175837 0.84 SYK (0.51) EGFRMEN1KMT2ASYKIGF1R
SCHEMBL655633 0.83 SYK (0.72) EGFRMEN1KMT2ASYKIGF1R
SCHEMBL19958510 0.83 EGFR (0.61) EGFRNFKB1SYKAURKAPOLB
SCHEMBL12518356 0.83 AURKA (0.72) EGFRNFKB1SYKAURKAIGF1R
SCHEMBL13606356 0.83 EGFR (0.61) EGFRNFKB1SYKAURKAPOLB
SCHEMBL29860412 0.82 MEN1 (0.56) EGFRMEN1KMT2ASYKIGF1R
SCHEMBL27047622 0.82 MEN1 (0.56) EGFRMEN1KMT2ASYKIGF1R

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-20120149687-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-06-14 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-20120149687-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 EGFR 2849/4885NFKB1 2968/4885MEN1 243/4885

“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.