SCHEMBL18181595

SCHEMBL18181595

Cc1ccc(Oc2ccn3ncnc3c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD4 Q15561 1/20 0.38
PIK3CD O00329 1/20 0.38
ERBB2 P04626 5/20 0.37
EGFR P00533 2/20 0.37
NQO2 P16083 1/20 0.37
FECH P22830 1/20 0.37
MYH14 Q7Z406 1/20 0.37
RIPK3 Q9Y572 1/20 0.37
TDP1 Q9NUW8 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
CASP3 P42574 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
EGLN2 Q96KS0 1/20 0.36

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
SCHEMBL12872519 0.84 ALDH1A1 (0.44) TEAD4ERBB2EGFRNQO2FECH
SCHEMBL18177582 0.84 ALDH1A1 (0.42) PIK3CDERBB2EGFRNQO2FECH
SCHEMBL20172422 0.80 ERBB2 (0.40) ERBB2EGFRNQO2FECHMYH14
SCHEMBL26005853 0.79 ALDH1A1 (0.46) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL21563376 0.78 PIK3CD (0.47) PIK3CDERBB2EGFRALDH1A1EGLN2
SCHEMBL25177224 0.77 NR4A1 (0.36) PIK3CDERBB2EGFRNQO2FECH
SCHEMBL26894024 0.77 ERBB2 (0.43) PIK3CDERBB2EGFRNQO2FECH
SCHEMBL260059 0.76 DNMT1 (0.39) PIK3CDEGFRALDH1A1SMN1; SMN2EGLN2
SCHEMBL26579583 0.76 ERBB2 (0.44) PIK3CDERBB2EGFRNQO2FECH
SCHEMBL25572680 0.75 ERBB2 (0.44) ERBB2EGFRNQO2FECHMYH14

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-20160311780-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RES INC (US) 2016-10-27 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-20160311780-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 TEAD4 3129/4885PIK3CD 1571/4885ERBB2 918/4885

“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.