SCHEMBL12423766

SCHEMBL12423766

C[C@@H](NC(=O)c1ccc(-c2ccnc(Nc3cccc(CN4CCC(O)CC4)c3)n2)s1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.56
JAK3 P52333 5/20 0.56
AKT3 Q9Y243 2/20 0.42
CAMK2D Q13557 5/20 0.42
MCHR1 Q99705 2/20 0.41
ABL1 P00519 1/20 0.41
PDGFRB P09619 1/20 0.41
BCR P11274 1/20 0.41
SRC P12931 1/20 0.41
PDGFRA P16234 1/20 0.41
SYK P43405 1/20 0.41
IGF1R P08069 2/20 0.41
TNIK Q9UKE5 1/20 0.39
ACKR3 P25106 1/20 0.39
IKBKB O14920 1/20 0.39

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
SCHEMBL12423683 0.92 JAK2 (0.54) JAK2JAK3AKT3ABL1PDGFRB
SCHEMBL13154242 0.92 JAK2 (0.46) JAK2JAK3AKT3CAMK2DMCHR1
SCHEMBL13154245 0.91 JAK2 (0.53) JAK2JAK3AKT3CAMK2DABL1
SCHEMBL12423747 0.90 JAK2 (0.46) JAK2JAK3AKT3CAMK2DABL1
SCHEMBL13154243 0.87 JAK2 (0.57) JAK2JAK3AKT3ABL1PDGFRB
SCHEMBL12423670 0.84 JAK2 (0.46) JAK2JAK3AKT3ABL1PDGFRB
SCHEMBL12423669 0.84 JAK2 (0.53) JAK2JAK3AKT3ABL1PDGFRB
SCHEMBL12423677 0.83 JAK2 (0.45) JAK2JAK3AKT3ABL1PDGFRB
SCHEMBL13154252 0.82 JAK2 (0.55) JAK2JAK3AKT3ABL1PDGFRB
SCHEMBL12423671 0.81 JAK2 (0.45) JAK2JAK3AKT3ABL1PDGFRB

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 JAK2 217/4885JAK3 108/4885AKT3 340/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 JAK2 217/4885JAK3 108/4885AKT3 340/4885

“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.