SCHEMBL12423736

SCHEMBL12423736

CCN1CCN(C(=O)c2csc(-c3ccnc(Nc4cccc(C(C)O)c4)n3)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.48
DYRK2 Q92630 2/20 0.46
CCND1 P24385 1/20 0.45
CDK6 Q00534 1/20 0.45
IKBKB O14920 3/20 0.43
CHUK O15111 3/20 0.43
IKBKG Q9Y6K9 3/20 0.43
NTRK1 P04629 1/20 0.42
CDK2 P24941 3/20 0.42
CCNT1 O60563 3/20 0.42
CDK9 P50750 3/20 0.42
CCNA2 P20248 2/20 0.42
CDK1 P06493 2/20 0.42
CCNB1 P14635 1/20 0.42
CDK7 P50613 1/20 0.42
CCNH P51946 1/20 0.42
UBE2M P61081 2/20 0.41
DCUN1D1 Q96GG9 2/20 0.41
MEN1 O00255 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL937691 0.91 DYRK2 (0.48) SYKDYRK2CCND1CDK6IKBKB
SCHEMBL12423731 0.91 IKBKB (0.52) SYKIKBKBCHUKIKBKGCDK2
SCHEMBL12423734 0.90 IKBKB (0.51) SYKIKBKBCHUKIKBKGCDK2
SCHEMBL12997080 0.89 JAK2 (0.42) SYKDYRK2IKBKBCHUKIKBKG
SCHEMBL12423729 0.89 CDK1 (0.55) SYKIKBKBCHUKIKBKGCDK2
SCHEMBL12423713 0.82 CAMK2D (0.43) IKBKBCHUKIKBKGCDK2CAMK2D
SCHEMBL12423728 0.81 CAMK2D (0.43) SYKIKBKBCDK2CCNT1CDK9
SCHEMBL938293 0.81 IKBKB (0.57) SYKIKBKBCHUKIKBKGCDK2
SCHEMBL12423714 0.81 CAMK2D (0.52) IKBKBCDK2CCNT1CDK9CCNA2
SCHEMBL937376 0.81 IKBKB (0.56) SYKIKBKBCHUKIKBKGCDK2

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 9 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
WO-2007053776-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-10 WO 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 420/4885DYRK2 375/4885CCND1 2337/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 SYK 420/4885DYRK2 375/4885CCND1 2337/4885

“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.