SCHEMBL12423686

SCHEMBL12423686

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.52
CAMK2D Q13557 9/20 0.48
CHUK O15111 1/20 0.46
IKBKG Q9Y6K9 1/20 0.46
ABL1 P00519 2/20 0.46
BCR P11274 2/20 0.46
MAPK8 P45983 2/20 0.46
PIK3CG P48736 2/20 0.46
GSK3B P49841 2/20 0.46
CAMKK2 Q96RR4 2/20 0.46
PRKCA P17252 1/20 0.46
CDK2 P24941 2/20 0.45
CCNT1 O60563 1/20 0.45
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK7 P50613 1/20 0.45
CDK9 P50750 1/20 0.45
CCNH P51946 1/20 0.45
CCNA1 P78396 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
SCHEMBL2196144 0.92 IKBKB (0.47) IKBKBCAMK2DCHUKIKBKGABL1
SCHEMBL12423838 0.92 IKBKB (0.47) IKBKBCAMK2DCHUKIKBKGABL1
SCHEMBL12423689 0.90 IKBKB (0.53) IKBKBCAMK2DCHUKIKBKGABL1
SCHEMBL12423387 0.88 CAMK2D (0.48) IKBKBCAMK2DMAPK8PIK3CGGSK3B
SCHEMBL12423237 0.88 CAMK2D (0.48) IKBKBCAMK2DMAPK8PIK3CGGSK3B
SCHEMBL12423400 0.88 CAMK2D (0.48) IKBKBCAMK2DMAPK8PIK3CGGSK3B
SCHEMBL12423687 0.88 IKBKB (0.44) IKBKBCAMK2DCHUKABL1BCR
SCHEMBL12423271 0.88 CDK2 (0.44) IKBKBCAMK2DCHUKIKBKGABL1
SCHEMBL12423285 0.87 AKT3 (0.48) IKBKBCAMK2DCDK2CCNT1CDK1
SCHEMBL12423296 0.87 CDK2 (0.44) IKBKBCAMK2DCHUKIKBKGABL1

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 9 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
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 IKBKB 553/4885CAMK2D 313/4885CHUK 164/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 IKBKB 553/4885CAMK2D 313/4885CHUK 164/4885

“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.