SCHEMBL12423172

SCHEMBL12423172

Brc1cccc(Nc2nccc(-c3ccc(Br)s3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 3/20 0.52
PIK3CA P42336 2/20 0.52
PIK3CB P42338 2/20 0.49
KDR P35968 2/20 0.48
SYK P43405 2/20 0.48
IKBKB O14920 1/20 0.47
CDK2 P24941 8/20 0.46
CCNA2 P20248 2/20 0.46
CCNA1 P78396 2/20 0.46
CDK4 P11802 5/20 0.46
SRC P12931 3/20 0.45
ZAP70 P43403 1/20 0.45
ABL1 P00519 4/20 0.45
BCR P11274 4/20 0.45
CCNT1 O60563 1/20 0.45
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CDK7 P50613 1/20 0.45
CDK9 P50750 1/20 0.45
CCNH P51946 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
SCHEMBL12423167 0.87 PIK3CG (0.66) PIK3CGPIK3CAPIK3CBSYKIKBKB
SCHEMBL12423151 0.84 SYK (0.49) PIK3CGPIK3CAPIK3CBSYKIKBKB
SCHEMBL12423181 0.84 CDK4 (0.63) PIK3CGPIK3CAPIK3CBSYKIKBKB
SCHEMBL12423165 0.84 PIK3CG (0.68) PIK3CGPIK3CAPIK3CBKDRSYK
SCHEMBL2198049 0.84 IKBKB (0.46) PIK3CGPIK3CAPIK3CBSYKIKBKB
SCHEMBL2197880 0.84 EPHB4 (0.48) PIK3CGPIK3CAPIK3CBSYKIKBKB
SCHEMBL12423177 0.84 CDK2 (0.47) PIK3CGPIK3CAPIK3CBSYKIKBKB
SCHEMBL12423133 0.83 IKBKB (0.70) PIK3CGSYKIKBKBSRCABL1
SCHEMBL3097167 0.83 IKBKB (0.55) PIK3CGPIK3CAPIK3CBKDRIKBKB
SCHEMBL13154268 0.82 ABL1 (0.65) PIK3CGPIK3CAPIK3CBCDK2CCNA2

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 PIK3CG 280/4885PIK3CA 241/4885PIK3CB 130/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 PIK3CG 280/4885PIK3CA 241/4885PIK3CB 130/4885

“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.