SCHEMBL3097647

SCHEMBL3097647

O=C(NCc1ccccc1)c1cc(Cl)c(-c2ccnc(Nc3cccc(CNCCO)c3)n2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.42
CNR2 P34972 4/20 0.42
CDK4 P11802 4/20 0.41
CDK2 P24941 4/20 0.41
ABL1 P00519 3/20 0.40
BCR P11274 3/20 0.40
SENP5 Q96HI0 1/20 0.40
SENP2 Q9HC62 1/20 0.40
SENP1 Q9P0U3 1/20 0.40
AKT3 Q9Y243 2/20 0.40
SRC P12931 2/20 0.40
AURKA O14965 1/20 0.40
CDK1 P06493 1/20 0.40
CDK7 P50613 1/20 0.40
CDK9 P50750 1/20 0.40
AURKB Q96GD4 1/20 0.40
PRKD3 O94806 1/20 0.40
PRKCG P05129 1/20 0.40
PRKCB P05771 1/20 0.40
PDGFRB P09619 1/20 0.40

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
SCHEMBL2196852 0.91 BTK (0.45) BTKCNR2CDK4CDK2ABL1
SCHEMBL3097637 0.84 AKT3 (0.54) CNR2ABL1BCRAKT3
SCHEMBL12423663 0.83 AKT3 (0.60) CNR2CDK4CDK2ABL1BCR
SCHEMBL13051469 0.79 AKT3 (0.49) BTKCDK2ABL1BCRAKT3
SCHEMBL12423675 0.76 AKT3 (0.46) CNR2AKT3IKBKBJAK2
SCHEMBL2198416 0.75 AKT3 (0.45) CDK4CDK2ABL1BCRAKT3
SCHEMBL12509522 0.74 AKT3 (0.45) ABL1BCRAKT3SRCPRKD3
SCHEMBL13154239 0.74 AKT3 (0.47) AKT3AURKAAURKBPRKCQCAMK2D
SCHEMBL2196849 0.74 AKT3 (0.55) CNR2AKT3SYK
SCHEMBL4162202 0.74 CDK2 (0.61) CDK4CDK2ABL1BCRSRC

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 BTK 90/4885CNR2 2660/4885CDK4 240/4885

“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.