SCHEMBL13924596

SCHEMBL13924596

c1cc(Nc2nccc(-c3nccs3)n2)cc(OCCN2CCOCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 13/20 0.62
AIMP2 Q13155 2/20 0.59
SRC P12931 4/20 0.54
ZAP70 P43403 3/20 0.54
CDK2 P24941 1/20 0.54
ABL1 P00519 1/20 0.51
BCR P11274 1/20 0.51
EGFR P00533 1/20 0.49
BTK Q06187 1/20 0.49
MTOR P42345 1/20 0.49
SMG1 Q96Q15 1/20 0.49
CASR P41180 1/20 0.48

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
SCHEMBL13924565 0.95 SYK (0.61) SYKAIMP2SRCZAP70CDK2
SCHEMBL13924599 0.92 SYK (0.65) SYKAIMP2SRCZAP70CDK2
SCHEMBL13924597 0.91 SYK (0.64) SYKAIMP2SRCZAP70CDK2
SCHEMBL13924604 0.89 SYK (0.62) SYKAIMP2SRCZAP70CDK2
SCHEMBL13924603 0.89 SYK (0.62) SYKAIMP2SRCZAP70CDK2
SCHEMBL13924600 0.88 SYK (0.60) SYKAIMP2SRCZAP70CDK2
SCHEMBL13924577 0.87 SYK (0.64) SYKAIMP2SRCZAP70CDK2
SCHEMBL13924601 0.86 SYK (0.58) SYKAIMP2SRCZAP70CDK2
SCHEMBL13924567 0.85 SYK (0.62) SYKAIMP2SRCZAP70CDK2
SCHEMBL13924466 0.85 SYK (0.79) SYKAIMP2SRCZAP70CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488727-B2 Thiazole compounds useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-10 US disclosed
US-7488727-B2 Thiazole compounds useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-10 US disclosed
US-20070249645-A1 THIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASE VERTEX PHARMACEUTICALS INCORPORATED 2007-10-25 US disclosed
US-20070249645-A1 THIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASE VERTEX PHARMACEUTICALS INCORPORATED 2007-10-25 US disclosed
US-7256190-B2 Thiazole compounds useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-14 US disclosed
US-7256190-B2 Thiazole compounds useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-14 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-20070249645-A1 THIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASE BTK, AURKC, GSK3B SYK 5/4885AIMP2 416/4885SRC 64/4885

“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.