SCHEMBL12423482

SCHEMBL12423482

CN1CCN(C(=O)c2cc(Nc3nccc(-c4ccc(Br)s4)n3)ccc2O)CC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SYK P43405 18/20 0.52
CDK1 P06493 1/20 0.45
CDK2 P24941 1/20 0.45
IKBKB O14920 1/20 0.45
CHUK O15111 1/20 0.45
IKBKG Q9Y6K9 1/20 0.45

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
SCHEMBL12423493 0.90 SYK (0.51) SYKIKBKBCHUKIKBKG
SCHEMBL13181308 0.89 SYK (0.52) SYKCDK1CDK2IKBKBCHUK
SCHEMBL12423479 0.89 CCNT1 (0.48) SYKCDK1CDK2IKBKBCHUK
SCHEMBL12423485 0.88 SYK (0.53) SYKIKBKBCHUKIKBKG
SCHEMBL12423521 0.86 CDK1 (0.60) SYKCDK1CDK2IKBKBCHUK
SCHEMBL2198062 0.84 SYK (0.55) SYKCDK1CDK2IKBKBCHUK
SCHEMBL12423496 0.81 SYK (0.48) SYKCDK2IKBKBCHUKIKBKG
SCHEMBL12423546 0.80 SYK (0.48) SYKIKBKBCHUKIKBKG
SCHEMBL13181309 0.78 CCNT1 (0.48) SYKCDK1CDK2IKBKBCHUK
SCHEMBL13154287 0.78 IKBKB (0.55) SYKIKBKBCHUKIKBKG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977481-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-07-12 US disclosed
US-7977481-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-07-12 US disclosed
US-20100305128-A1 Pyrimidinyl-Thiophene Kinase Modulators ARNOLD WILLIAM D 2010-12-02 US disclosed
US-20100305128-A1 Pyrimidinyl-Thiophene Kinase Modulators ARNOLD WILLIAM D 2010-12-02 US disclosed
US-7803806-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-09-28 US disclosed
US-7803806-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-09-28 US disclosed
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-24 US disclosed
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-24 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-20100305128-A1 Pyrimidinyl-Thiophene Kinase Modulators MAP3K20, MAP3K6, MAP4K2 SYK 420/4885CDK1 277/4885CDK2 110/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 SYK 420/4885CDK1 277/4885CDK2 110/4885

“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.