SCHEMBL18720122

SCHEMBL18720122

Fc1cnc(Nc2ccc3c(c2)CCCO3)nc1Nc1cccc(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SYK P43405 12/20 0.67
EGFR P00533 4/20 0.60
ITK Q08881 2/20 0.60
MAOB P27338 1/20 0.52
GRM5 P41594 1/20 0.52
AURKA O14965 2/20 0.51
KDR P35968 1/20 0.49

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
SCHEMBL15252565 0.84 SYK (0.61) SYKEGFRITKAURKAKDR
SCHEMBL12519555 0.83 SYK (0.65) SYKEGFRITKAURKA
SCHEMBL18594603 0.83 SYK (0.62) SYKEGFRITKAURKAKDR
SCHEMBL655928 0.82 SYK (0.69) SYKEGFRAURKA
SCHEMBL655523 0.82 SYK (1.00) SYKITKAURKAKDR
SCHEMBL18720121 0.81 SYK (0.61) SYKEGFRITKAURKA
SCHEMBL10229037 0.79 SYK (0.72) SYKEGFRAURKA
SCHEMBL20927086 0.77 EGFR (0.82) SYKEGFRITKAURKA
SCHEMBL656609 0.76 SYK (0.70) SYKEGFRAURKAKDR
SCHEMBL657783 0.76 ULK1 (0.69) SYKEGFRITK

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-10010548-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2018-07-03 US disclosed
US-20170100397-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-04-13 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 (2 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-10010548-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK SYK 610/4885EGFR 460/4885ITK 317/4885
US-20170100397-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 SYK 2370/4885EGFR 1981/4885ITK 2697/4885

“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.