SCHEMBL13924583

SCHEMBL13924583

O=C(CCCN1CCCCC1)Nc1cccc(Nc2nccc(-c3nccs3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.52
HDAC1 Q13547 5/20 0.52
HDAC6 Q9UBN7 5/20 0.52
SYK P43405 9/20 0.52
SRC P12931 3/20 0.52
ZAP70 P43403 2/20 0.52
CDK2 P24941 1/20 0.52
ABL1 P00519 2/20 0.50
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
PRKCA P17252 1/20 0.50
PRKCD Q05655 1/20 0.50
BCR P11274 1/20 0.49
EGFR P00533 1/20 0.47
TERT O14746 2/20 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
SCHEMBL13924588 0.92 SYK (0.51) JAK2HDAC1HDAC6SYKSRC
SCHEMBL13924585 0.92 SYK (0.50) JAK2HDAC1HDAC6SYKSRC
SCHEMBL13924586 0.89 SYK (0.48) JAK2HDAC1HDAC6SYKSRC
SCHEMBL13924587 0.87 SYK (0.58) JAK2HDAC1HDAC6SYKSRC
SCHEMBL13924582 0.82 SYK (0.58) JAK2HDAC1HDAC6SYKSRC
SCHEMBL13924577 0.81 SYK (0.64) SYKSRCZAP70CDK2ABL1
SCHEMBL13924584 0.81 SYK (0.53) JAK2SYKSRCZAP70CDK2
SCHEMBL13924597 0.79 SYK (0.64) SYKSRCZAP70CDK2ABL1
SCHEMBL13924591 0.79 SYK (0.55) JAK2HDAC1HDAC6SYKSRC
SCHEMBL13924599 0.78 SYK (0.65) SYKSRCZAP70CDK2ABL1

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 JAK2 37/4885HDAC1 1448/4885HDAC6 535/4885

“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.