SCHEMBL12423734

SCHEMBL12423734

CC(O)c1cccc(Nc2nccc(-c3cc(C(=O)N4CCCCC4)cs3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 9/20 0.51
CHUK O15111 8/20 0.51
IKBKG Q9Y6K9 8/20 0.51
MTOR P42345 1/20 0.48
SMG1 Q96Q15 1/20 0.48
MEN1 O00255 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
PRKCZ Q05513 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CCNT1 O60563 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CDK7 P50613 1/20 0.44
CDK9 P50750 1/20 0.44
CCNH P51946 1/20 0.44
EGFR P00533 1/20 0.44

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
SCHEMBL12423731 0.99 IKBKB (0.52) IKBKBCHUKIKBKGMTORSMG1
SCHEMBL12423729 0.92 CDK1 (0.55) IKBKBCHUKIKBKGMTORSMG1
SCHEMBL937376 0.90 IKBKB (0.56) IKBKBCHUKIKBKGMTORSMG1
SCHEMBL12423736 0.90 SYK (0.48) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL938293 0.89 IKBKB (0.57) IKBKBCHUKIKBKGMTORSMG1
SCHEMBL12423716 0.85 STK17A (0.46) IKBKBPRKCZSRCJAK2STK17A
SCHEMBL12423714 0.84 CAMK2D (0.52) IKBKBPRKCZCCNT1CDK1CCNB1
SCHEMBL12423725 0.83 CAMK2D (0.44) IKBKBCDK2SRCCAMK2DSYK
SCHEMBL938750 0.82 PLK4 (0.50) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL2198087 0.81 CAMK2D (0.43) IKBKBCHUKIKBKGKMT2AEGFR

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 IKBKB 553/4885CHUK 164/4885IKBKG 814/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 IKBKB 553/4885CHUK 164/4885IKBKG 814/4885

“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.