SCHEMBL18958985

SCHEMBL18958985

Clc1ncc(Cl)c(-c2cn3c4c(cccc24)CCC3)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
RPS6KA5 O75582 1/20 0.40
MTNR1A P48039 6/20 0.38
MTNR1B P49286 6/20 0.38
OPA1 O60313 1/20 0.35
EIF5B O60841 1/20 0.35
MET P08581 1/20 0.35
HMOX2 P30519 1/20 0.35
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL17270075 0.89 HTR2A (0.43) EGFRHTR2AHTR2CMTNR1AMTNR1B
SCHEMBL17270039 0.88 HTR2A (0.44) EGFRHTR2AHTR2CMTNR1AMTNR1B
SCHEMBL17270038 0.88 HTR2A (0.42) EGFRHTR2AHTR2CMTNR1AMTNR1B
SCHEMBL17261896 0.88 HTR2A (0.42) EGFRHTR2AHTR2CMTNR1AMTNR1B
SCHEMBL18958991 0.87 HTR2A (0.41) EGFRHTR2AHTR2CMTNR1AMTNR1B
SCHEMBL17261870 0.86 HTR2A (0.46) EGFRHTR2AHTR2CMTNR1AMTNR1B
SCHEMBL17269954 0.85 HTR2A (0.45) EGFRHTR2AHTR2CMTNR1AMTNR1B
SCHEMBL18958986 0.85 EGFR (0.45) EGFRHTR2AHTR2CMTNR1AMTNR1B
SCHEMBL18958987 0.85 EGFR (0.47) EGFRHTR2AHTR2C
SCHEMBL17261887 0.85 EGFR (0.40) EGFRHTR2AHTR2CMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166598-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2017-06-15 US disclosed
US-20170166598-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2017-06-15 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-20170166598-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 EGFR 2/4885HTR2A 1220/4885HTR2C 735/4885

“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.