SCHEMBL12423675

SCHEMBL12423675

O=C(NCc1ccco1)c1ccc(-c2ccnc(Nc3cccc(CNCCO)c3)n2)s1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 12/20 0.46
JAK2 O60674 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
CNR2 P34972 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
CYP2C19 P33261 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
SCHEMBL12423663 0.87 AKT3 (0.60) AKT3CNR2
SCHEMBL13051469 0.87 AKT3 (0.49) AKT3
SCHEMBL3097637 0.86 AKT3 (0.54) AKT3CNR2
SCHEMBL12423317 0.85 ALDH1A1 (0.52) AKT3JAK2ALDH1A1HPGDCNR2
SCHEMBL13051331 0.85 ALDH1A1 (0.47) AKT3JAK2ALDH1A1HPGDCNR2
SCHEMBL12423674 0.82 JAK2 (0.44) AKT3JAK2ALDH1A1HPGDCNR2
SCHEMBL12423672 0.82 JAK2 (0.54) AKT3JAK2ALDH1A1HPGD
SCHEMBL12509522 0.80 AKT3 (0.45) AKT3IKBKB
SCHEMBL13154239 0.80 AKT3 (0.47) AKT3IKBKB
SCHEMBL12423699 0.79 JAK2 (0.63) JAK2ALDH1A1

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 6 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-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 (1 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-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 AKT3 340/4885JAK2 217/4885ALDH1A1 4186/4885

“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.