SCHEMBL3104286

SCHEMBL3104286

O=C(O)c1ccc(-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.63
CAMK2D Q13557 1/20 0.58
JAK3 P52333 4/20 0.57
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
TYK2 P29597 3/20 0.52
JAK1 P23458 2/20 0.52
PLK4 O00444 1/20 0.52
IGF1R P08069 3/20 0.51
EGFR P00533 2/20 0.51
ERBB2 P04626 2/20 0.51
LCK P06239 2/20 0.51
KDR P35968 2/20 0.51
PTK2 Q05397 2/20 0.51
MAP4K2 Q12851 2/20 0.51
STK3 Q13188 2/20 0.51
AURKB Q96GD4 2/20 0.51
MAP4K5 Q9Y4K4 2/20 0.51

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
SCHEMBL14100244 0.89 CDK2 (0.59) JAK2JAK3PLK4EGFRLCK
SCHEMBL2196781 0.86 JAK2 (0.56) JAK2CAMK2DJAK3HDAC3HDAC1
SCHEMBL12423697 0.86 JAK2 (0.56) JAK2CAMK2DJAK3HDAC3HDAC1
SCHEMBL14100242 0.84 JAK2 (0.60) JAK2JAK3TYK2PLK4LCK
SCHEMBL12423699 0.84 JAK2 (0.63) JAK2CAMK2DJAK3HDAC3HDAC1
SCHEMBL14100235 0.83 ABL1 (0.67) JAK2JAK3TYK2PLK4IGF1R
SCHEMBL14100237 0.82 ABL1 (0.60) JAK2JAK3TYK2PLK4CSF1R
SCHEMBL3101934 0.82 IKBKB (0.49) JAK2JAK3PLK4EGFRLCK
SCHEMBL14100236 0.81 EPHX2 (0.54) EGFR
SCHEMBL3097167 0.79 IKBKB (0.55) CAMK2DKDRMAPK8PRKD3SRC

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1948647-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2008-07-30 EP 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 JAK2 217/4885CAMK2D 313/4885JAK3 108/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 JAK2 217/4885CAMK2D 313/4885JAK3 108/4885

“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.