SCHEMBL12423699

SCHEMBL12423699

O=C(NCc1ccco1)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
JAK3 P52333 4/20 0.55
CAMK2D Q13557 1/20 0.49
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
ALOX15 P16050 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
TSHR P16473 1/20 0.46
IGF1R P08069 3/20 0.46
EGFR P00533 2/20 0.46
ERBB2 P04626 2/20 0.46
TYK2 P29597 3/20 0.45
LCK P06239 2/20 0.45
KDR P35968 2/20 0.45
PTK2 Q05397 2/20 0.45
MAP4K2 Q12851 2/20 0.45
STK3 Q13188 2/20 0.45

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
SCHEMBL12423694 0.85 JAK2 (0.46) JAK2JAK3ALDH1A1SYKCCNT1
SCHEMBL3104286 0.84 JAK2 (0.63) JAK2JAK3CAMK2DHDAC3HDAC1
SCHEMBL12423317 0.83 ALDH1A1 (0.52) JAK2MAPTALDH1A1
SCHEMBL13051331 0.83 ALDH1A1 (0.47) JAK2MAPTALDH1A1TSHRGAA
SCHEMBL12423672 0.80 JAK2 (0.54) JAK2JAK3ALDH1A1IGF1RTYK2
SCHEMBL12423697 0.80 JAK2 (0.56) JAK2JAK3CAMK2DHDAC3HDAC1
SCHEMBL2196781 0.80 JAK2 (0.56) JAK2JAK3CAMK2DHDAC3HDAC1
SCHEMBL12423675 0.79 AKT3 (0.46) JAK2ALDH1A1
SCHEMBL12423674 0.78 JAK2 (0.44) JAK2JAK3ALDH1A1IGF1RSRC
SCHEMBL14100321 0.78 JAK2 (0.53) JAK2JAK3LCKKDRPTK2

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 JAK2 217/4885JAK3 108/4885CAMK2D 313/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 JAK2 217/4885JAK3 108/4885CAMK2D 313/4885

“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.