SCHEMBL12423196

SCHEMBL12423196

O=S(=O)(NCCO)c1ccc(Nc2nccc(-c3ccc(Br)s3)n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 6/20 0.65
DKK1 O94907 1/20 0.53
GSK3B P49841 1/20 0.53
CDK2 P24941 11/20 0.49
CDK1 P06493 2/20 0.48
CCNT1 O60563 1/20 0.48
CCNB1 P14635 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK7 P50613 1/20 0.48
CDK9 P50750 1/20 0.48
CCNH P51946 1/20 0.48
CCNA1 P78396 1/20 0.48
CDK4 P11802 4/20 0.47
SYK P43405 1/20 0.46
CA12 O43570 1/20 0.45
ABL1 P00519 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL3524238 0.89 IKBKB (0.68) IKBKBDKK1GSK3BCDK2CDK1
SCHEMBL13051459 0.88 IKBKB (0.56) IKBKBDKK1GSK3BCDK2CDK1
SCHEMBL3520377 0.84 IKBKB (0.60) IKBKBDKK1GSK3BCDK2CDK1
SCHEMBL3516308 0.82 IKBKB (0.76) IKBKBDKK1GSK3BCDK2CDK1
SCHEMBL12423528 0.81 IKBKB (0.57) IKBKBDKK1GSK3BSYK
SCHEMBL12423188 0.80 IKBKB (0.47) IKBKBDKK1GSK3BCDK2CDK1
SCHEMBL12878278 0.79 IKBKB (0.71) IKBKBCDK2CCNT1CCNA2CDK7
SCHEMBL4159897 0.79 CDK2 (0.64) IKBKBCDK2CDK1CCNA2CDK7
SCHEMBL3521184 0.79 IKBKB (1.00) IKBKBCDK2CDK1CDK4SYK
SCHEMBL3518431 0.78 IKBKB (1.00) IKBKBDKK1GSK3BCDK2CDK4

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-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-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 IKBKB 553/4885DKK1 1541/4885GSK3B 967/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 IKBKB 553/4885DKK1 1541/4885GSK3B 967/4885

“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.