SCHEMBL12509331

SCHEMBL12509331

O=C(NCCO)c1cccc(Nc2nccc(-c3ccc(Br)s3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.55
SRC P12931 4/20 0.55
EGFR P00533 1/20 0.55
BCR P11274 5/20 0.54
IKBKB O14920 5/20 0.52
CHUK O15111 4/20 0.49
IKBKG Q9Y6K9 4/20 0.49
CDK2 P24941 2/20 0.47
GSK3B P49841 2/20 0.47
CDK4 P11802 1/20 0.47
CDC7 O00311 1/20 0.47
CDK19 Q9BWU1 1/20 0.47
PRKCA P17252 3/20 0.46
SYK P43405 1/20 0.44
PDGFRB P09619 2/20 0.44
PDGFRA P16234 2/20 0.44
PRKCD Q05655 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PRKD3 O94806 1/20 0.43

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
SCHEMBL12509735 0.90 BRAF (0.54) ABL1SRCEGFRBCRIKBKB
SCHEMBL12509694 0.89 IKBKB (0.62) ABL1SRCEGFRBCRIKBKB
SCHEMBL12423528 0.88 IKBKB (0.57) EGFRIKBKBCHUKIKBKGGSK3B
SCHEMBL12423133 0.84 IKBKB (0.70) ABL1SRCBCRIKBKBCHUK
SCHEMBL13154277 0.83 IKBKB (0.51) ABL1SRCEGFRBCRIKBKB
SCHEMBL12423140 0.83 IKBKB (0.57) ABL1BCRIKBKBGSK3BPRKCA
SCHEMBL12423129 0.81 IKBKB (0.54) ABL1SRCBCRIKBKBCHUK
SCHEMBL12509739 0.80 IKBKB (0.42) ABL1SRCEGFRBCRIKBKB
SCHEMBL5068267 0.79 IKBKB (0.44) ABL1SRCBCRIKBKBCDK2
SCHEMBL12423500 0.79 SYK (0.53) IKBKBCHUKIKBKGCDK2SYK

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 7 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-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 ABL1 45/4885SRC 259/4885EGFR 908/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 ABL1 45/4885SRC 259/4885EGFR 908/4885

“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.