SCHEMBL3098965

SCHEMBL3098965

COc1ccc(Nc2nccc(-c3ccc(C(=O)O)s3)n2)cc1OCCN(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.48
BCR P11274 2/20 0.48
AKT3 Q9Y243 1/20 0.47
CCNT1 O60563 1/20 0.45
CDK9 P50750 1/20 0.45
CSNK2A1 P68400 1/20 0.45
IKBKB O14920 4/20 0.44
CHUK O15111 3/20 0.44
IKBKG Q9Y6K9 3/20 0.44
SYK P43405 5/20 0.44
CDK4 P11802 1/20 0.42
CDK2 P24941 1/20 0.42
GSK3B P49841 1/20 0.42
MCHR1 Q99705 1/20 0.42
LCK P06239 1/20 0.41
SRC P12931 1/20 0.41
KDR P35968 1/20 0.41
MAPK14 Q16539 1/20 0.41
CDC7 O00311 1/20 0.41
AURKA O14965 1/20 0.41

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
SCHEMBL12423379 0.86 ABL1 (0.45) ABL1BCRAKT3CCNT1CDK9
SCHEMBL2197498 0.86 ABL1 (0.45) ABL1BCRAKT3CCNT1CDK9
SCHEMBL3089691 0.83 AURKB (0.57) ABL1CCNT1CDK9CSNK2A1IKBKB
SCHEMBL13052286 0.77 C5 (0.46) AKT3SYKCDK4CDK2GSK3B
SCHEMBL12423703 0.77 C5 (0.46) AKT3SYKCDK4CDK2GSK3B
SCHEMBL13154300 0.74 GSK3B (0.57) CCNT1CDK9CSNK2A1IKBKBSYK
SCHEMBL5069822 0.74 IKBKB (0.54) AKT3CDK9CSNK2A1IKBKBCHUK
SCHEMBL3972126 0.73 AKT3 (0.70) AKT3CCNT1CDK9IKBKBCHUK
SCHEMBL2194717 0.72 ABL1 (0.58) ABL1BCRIKBKBCHUKIKBKG
SCHEMBL12423169 0.72 CDK2 (0.53) CDK9CSNK2A1IKBKBSYKCDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1948647-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2008-07-30 EP disclosed
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-24 US disclosed
WO-2007053776-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-10 WO 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 45/4885BCR 981/4885AKT3 340/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 ABL1 45/4885BCR 981/4885AKT3 340/4885

“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.