SCHEMBL3097637

SCHEMBL3097637

O=C(NCc1ccc(Cl)cc1)c1ccc(-c2ccnc(Nc3cccc(CNCCO)c3)n2)s1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 17/20 0.54
HDAC1 Q13547 1/20 0.44
CNR2 P34972 1/20 0.44
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42

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 0.94 AKT3 (0.60) AKT3CNR2ABL1BCR
SCHEMBL2196849 0.91 AKT3 (0.55) AKT3CNR2
SCHEMBL13051469 0.89 AKT3 (0.49) AKT3HDAC1ABL1BCR
SCHEMBL2198416 0.88 AKT3 (0.45) AKT3ABL1BCR
SCHEMBL12423675 0.86 AKT3 (0.46) AKT3CNR2
SCHEMBL12423662 0.85 AKT3 (0.61) AKT3CNR2ABL1BCR
SCHEMBL3097647 0.84 BTK (0.42) AKT3CNR2ABL1BCR
SCHEMBL3977667 0.83 AKT3 (0.58) AKT3CNR2
SCHEMBL12423276 0.83 AKT3 (0.54) AKT3CNR2
SCHEMBL12423664 0.82 AKT3 (0.59) AKT3CNR2ABL1BCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 340/4885HDAC1 1547/4885CNR2 2660/4885

“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.