SCHEMBL12423192

SCHEMBL12423192

O=S(=O)(c1cccc(Nc2nccc(-c3ccc(Br)s3)n2)c1)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.53
CDK1 P06493 4/20 0.53
MTOR P42345 1/20 0.53
SMG1 Q96Q15 1/20 0.53
IKBKB O14920 3/20 0.53
CHUK O15111 3/20 0.53
CCNT1 O60563 4/20 0.49
CDK9 P50750 4/20 0.49
CCNB1 P14635 3/20 0.49
CCNA2 P20248 3/20 0.49
CDK7 P50613 3/20 0.49
CCNH P51946 3/20 0.49
CCNE1 P24864 1/20 0.49
JAK2 O60674 2/20 0.48
JAK3 P52333 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
PKM P14618 1/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL12423197 0.89 CDK2 (0.61) CDK2CDK1SMG1IKBKBCHUK
SCHEMBL3458402 0.82 JAK2 (0.56) CDK2CDK1MTORSMG1IKBKB
SCHEMBL4377112 0.81 CDK1 (0.61) CDK2CDK1MTORSMG1IKBKB
SCHEMBL30023094 0.81 KMT2A (0.65) JAK2JAK3MEN1KMT2APOLB
SCHEMBL4164569 0.80 CDK2 (0.63) CDK2CDK1MTORSMG1IKBKB
SCHEMBL2086282 0.80 CDK2 (0.56) CDK2CDK1MTORSMG1IKBKB
SCHEMBL12423131 0.80 CCNT1 (0.66) CDK2CDK1MTORSMG1IKBKB
SCHEMBL12423160 0.79 JAK2 (0.61) CDK2CDK1SMG1JAK2JAK3
SCHEMBL6622738 0.78 CDK2 (0.52) CDK2CDK1MTORSMG1IKBKB
SCHEMBL4381795 0.78 JAK2 (0.72) CDK2CDK1MTORSMG1IKBKB

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 CDK2 110/4885CDK1 277/4885MTOR 95/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 CDK2 110/4885CDK1 277/4885MTOR 95/4885

“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.