SCHEMBL12423747

SCHEMBL12423747

C[C@@H](NC(=O)c1ccc(-c2ccnc(Nc3cccc(CN4CCN(CCO)CC4)c3)n2)s1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.46
JAK3 P52333 4/20 0.46
ABL1 P00519 3/20 0.44
BCR P11274 3/20 0.44
SYK P43405 3/20 0.44
PDGFRB P09619 1/20 0.44
SRC P12931 1/20 0.44
PDGFRA P16234 1/20 0.44
AKT3 Q9Y243 2/20 0.42
CAMK2D Q13557 4/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
IGF1R P08069 2/20 0.40
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
IKBKG Q9Y6K9 1/20 0.40
TNIK Q9UKE5 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
SCHEMBL13154245 0.94 JAK2 (0.53) JAK2JAK3ABL1BCRSYK
SCHEMBL12423671 0.92 JAK2 (0.45) JAK2JAK3ABL1BCRSYK
SCHEMBL13154242 0.90 JAK2 (0.46) JAK2JAK3ABL1BCRSYK
SCHEMBL12423766 0.90 JAK2 (0.56) JAK2JAK3ABL1BCRSYK
SCHEMBL14100240 0.87 JAK2 (0.51) JAK2JAK3ABL1BCRSYK
SCHEMBL12423669 0.87 JAK2 (0.53) JAK2JAK3ABL1BCRSYK
SCHEMBL13154239 0.84 AKT3 (0.47) AKT3CAMK2DIKBKB
SCHEMBL14100344 0.82 ABL1 (0.49) JAK2JAK3ABL1BCRSYK
SCHEMBL12423677 0.82 JAK2 (0.45) JAK2JAK3ABL1BCRSYK
SCHEMBL12423683 0.81 JAK2 (0.54) JAK2JAK3ABL1BCRSYK

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 108/4885ABL1 45/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 JAK2 217/4885JAK3 108/4885ABL1 45/4885

“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.