SCHEMBL12423447

SCHEMBL12423447

CCc1ccccc1-c1ccc(-c2ccnc(Nc3cccc(C(=O)N4CCN(CCN(C)C)CC4)c3)n2)s1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 12/20 0.54
IKBKB O14920 6/20 0.47
CHUK O15111 5/20 0.47
IKBKG Q9Y6K9 5/20 0.47
CCNT1 O60563 1/20 0.47
CDK1 P06493 1/20 0.47
CCNB1 P14635 1/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CDK7 P50613 1/20 0.47
CDK9 P50750 1/20 0.47
CCNH P51946 1/20 0.47
MEN1 O00255 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
PRKCZ Q05513 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
JAK1 P23458 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
SCHEMBL12423437 0.90 SYK (0.53) SYKIKBKBCHUKIKBKGCCNT1
SCHEMBL12423451 0.88 SYK (0.55) SYKIKBKBCHUKIKBKGCCNT1
SCHEMBL12423486 0.87 SYK (0.56) SYKIKBKBCHUKIKBKGCCNT1
SCHEMBL12423435 0.81 IKBKB (0.52) SYKIKBKBCHUKIKBKGCDK2
SCHEMBL2196232 0.77 IKBKB (0.54) SYKIKBKBCHUKIKBKGCDK1
SCHEMBL12423500 0.77 SYK (0.53) SYKIKBKBCHUKIKBKGCCNT1
SCHEMBL13154278 0.75 CCNT1 (0.48) SYKIKBKBCHUKIKBKGCCNT1
SCHEMBL2198062 0.75 SYK (0.55) SYKIKBKBCHUKIKBKGCCNT1
SCHEMBL12423485 0.74 SYK (0.53) SYKIKBKBCHUKIKBKG
SCHEMBL12423429 0.73 JAK2 (0.60) SYKCCNT1CDK1CDK9

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 SYK 420/4885IKBKB 553/4885CHUK 164/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 SYK 420/4885IKBKB 553/4885CHUK 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.