SCHEMBL3101934

SCHEMBL3101934

CN(C)C1CCN(c2cccc(Nc3nccc(-c4ccc(C(=O)O)s4)n3)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.49
CHUK O15111 1/20 0.49
IKBKG Q9Y6K9 1/20 0.49
JAK2 O60674 4/20 0.46
CDK2 P24941 9/20 0.46
CCNT1 O60563 5/20 0.46
CCNA2 P20248 5/20 0.46
CDK9 P50750 5/20 0.46
BRD4 O60885 1/20 0.43
FLT3 P36888 7/20 0.42
CDK1 P06493 5/20 0.42
CCNB1 P14635 5/20 0.42
CDK7 P50613 4/20 0.42
CCNH P51946 4/20 0.42
CCNE1 P24864 3/20 0.42
MNAT1 P51948 2/20 0.42
SYK P43405 2/20 0.42
CCNA1 P78396 2/20 0.42
JAK3 P52333 1/20 0.41
PLK4 O00444 1/20 0.41

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
SCHEMBL12423691 0.88 IKBKB (0.45) IKBKBCHUKIKBKGJAK2CDK2
SCHEMBL2195856 0.88 IKBKB (0.45) IKBKBCHUKIKBKGJAK2CDK2
SCHEMBL12509631 0.85 CDK2 (0.43) IKBKBCHUKIKBKGJAK2CDK2
SCHEMBL12423694 0.85 JAK2 (0.46) IKBKBCHUKIKBKGJAK2CDK2
SCHEMBL12423695 0.85 AKT3 (0.51) IKBKBCHUKIKBKGJAK2CDK2
SCHEMBL14527579 0.85 IKBKB (0.42) IKBKBCHUKIKBKGJAK2CDK2
SCHEMBL14100244 0.83 CDK2 (0.59) IKBKBJAK2CDK2CCNT1CCNA2
SCHEMBL3104286 0.82 JAK2 (0.63) JAK2CDK2CCNT1CCNA2CDK9
SCHEMBL19476382 0.78 JAK2 (0.49) JAK2CDK2CCNT1CCNA2CDK9
SCHEMBL2194717 0.76 ABL1 (0.58) IKBKBCHUKIKBKGCDK2CDK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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.