SCHEMBL2197498

SCHEMBL2197498

COc1ccc(Nc2nccc(-c3ccc(C(=O)NC(C)c4ccccc4)s3)n2)cc1OCCN(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.45
BCR P11274 2/20 0.45
C5 P01031 2/20 0.44
AKT3 Q9Y243 2/20 0.44
IKBKB O14920 2/20 0.43
CHUK O15111 2/20 0.43
IKBKG Q9Y6K9 2/20 0.43
SYK P43405 1/20 0.41
CAMK2D Q13557 4/20 0.41
ROCK1 Q13464 3/20 0.41
GSK3B P49841 2/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
MAP4K4 O95819 1/20 0.41
PRKACA P17612 1/20 0.41
GRK5 P34947 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CDK8 P49336 1/20 0.41
GSK3A P49840 1/20 0.41
RPS6KA3 P51812 1/20 0.41

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
SCHEMBL12423379 1.00 ABL1 (0.45) ABL1BCRC5AKT3IKBKB
SCHEMBL12423703 0.92 C5 (0.46) C5AKT3SYKCAMK2DROCK1
SCHEMBL13052286 0.92 C5 (0.46) C5AKT3SYKCAMK2DROCK1
SCHEMBL3098965 0.86 ABL1 (0.48) ABL1BCRAKT3IKBKBCHUK
SCHEMBL12423321 0.86 AURKB (0.51) AKT3IKBKBCHUKIKBKGCAMK2D
SCHEMBL2198512 0.86 AURKB (0.51) AKT3IKBKBCHUKIKBKGCAMK2D
SCHEMBL4929463 0.81 AURKB (0.52) AKT3IKBKBCHUKIKBKGCAMK2D
SCHEMBL4929513 0.81 AURKB (0.52) AKT3IKBKBCHUKIKBKGCAMK2D
SCHEMBL13181306 0.80 CAMK2D (0.47) AKT3IKBKBCHUKIKBKGCAMK2D
SCHEMBL13154237 0.80 AKT3 (0.49) AKT3IKBKBCHUKIKBKGCAMK2D

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 3 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

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-20100305128-A1 Pyrimidinyl-Thiophene Kinase Modulators MAP3K20, MAP3K6, MAP4K2 ABL1 45/4885BCR 981/4885C5 4855/4885

“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.