SCHEMBL12423693

SCHEMBL12423693

C[C@@H](NC(=O)c1ccc(-c2ccnc(Nc3cccc(N4CCN(C)CC4)c3)n2)s1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.54
FLT3 P36888 7/20 0.54
KIT P10721 2/20 0.54
SYK P43405 2/20 0.54
PLK4 O00444 1/20 0.54
CHEK1 O14757 1/20 0.54
PRKD3 O94806 1/20 0.54
LCK P06239 1/20 0.54
CSF1R P07333 1/20 0.54
ROS1 P08922 1/20 0.54
FGFR1 P11362 1/20 0.54
SRC P12931 1/20 0.54
FLT1 P17948 1/20 0.54
FGFR3 P22607 1/20 0.54
MARK3 P27448 1/20 0.54
KDR P35968 1/20 0.54
CLK2 P49760 1/20 0.54
GSK3A P49840 1/20 0.54
GSK3B P49841 1/20 0.54
PLK1 P53350 1/20 0.54

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
SCHEMBL12509523 1.00 CDK2 (0.54) CDK2FLT3KITSYKPLK4
SCHEMBL2196781 0.91 JAK2 (0.56) CDK2SYKPLK4PRKD3LCK
SCHEMBL12423697 0.91 JAK2 (0.56) CDK2SYKPLK4PRKD3LCK
SCHEMBL14100332 0.89 CDK2 (0.51) CDK2FLT3KITSYKPLK4
SCHEMBL14100347 0.87 CDK2 (0.49) CDK2FLT3KITSYKPLK4
SCHEMBL13154245 0.87 JAK2 (0.53) CDK2FLT3KITSYKPLK4
SCHEMBL14100244 0.86 CDK2 (0.59) CDK2FLT3KITSYKPLK4
SCHEMBL12423691 0.86 IKBKB (0.45) CDK2FLT3KITSYKPLK4
SCHEMBL2195856 0.86 IKBKB (0.45) CDK2FLT3KITSYKPLK4
SCHEMBL12423387 0.84 CAMK2D (0.48) CDK2CHEK1GSK3AGSK3BAURKB

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 7 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-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 CDK2 110/4885FLT3 260/4885KIT 1037/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 CDK2 110/4885FLT3 260/4885KIT 1037/4885

“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.