SCHEMBL473459

SCHEMBL473459

CCNC(=O)[C@H]1CC[C@H](Nc2ncc(C)c(-n3nnc4ccccc43)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 14/20 0.51
MAPK9 P45984 13/20 0.51
MAPK10 P53779 10/20 0.51
CDK2 P24941 10/20 0.51
CCNE1 P24864 7/20 0.51
CYP2C9 P11712 2/20 0.51
CDK1 P06493 1/20 0.46
CDK4 P11802 1/20 0.46
CCNB1 P14635 1/20 0.46
CCND1 P24385 1/20 0.46
MAPK6 Q16659 1/20 0.43
JUN P05412 3/20 0.43
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
ADRA2A P08913 2/20 0.38
HRH1 P35367 2/20 0.38
HTR2B P41595 2/20 0.38
MCHR1 Q99705 2/20 0.38
ADRA1A P35348 1/20 0.38

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
SCHEMBL473461 1.00 MAPK8 (0.51) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL473562 0.90 MAPK8 (0.53) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL473634 0.90 MAPK8 (0.51) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL5096609 0.90 MAPK8 (0.53) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL473635 0.90 MAPK8 (0.51) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL8216783 0.89 MAPK8 (0.47) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL473508 0.86 MAPK8 (0.54) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL473509 0.86 MAPK8 (0.54) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL473524 0.84 MAPK8 (0.73) MAPK8MAPK9MAPK10CDK2CCNE1
SCHEMBL473527 0.84 MAPK8 (0.73) MAPK8MAPK9MAPK10CDK2CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962622-B2 Benzotriazole kinase modulators ROCHE PALO ALTO LLC (US) 2015-02-24 US disclosed
US-8962622-B2 Benzotriazole kinase modulators ROCHE PALO ALTO LLC (US) 2015-02-24 US disclosed
US-8962622-B2 Benzotriazole kinase modulators ROCHE PALO ALTO LLC (US) 2015-02-24 US disclosed
EP-2066319-B1 BENZOTRIAZOLE KINASE MODULATORS HOFFMANN LA ROCHE (CH) 2012-02-01 EP disclosed
US-20080103142-A1 Benzotriazole kinase modulators ROCHE PALO ALTO LLC 2008-05-01 US disclosed
US-20080103142-A1 Benzotriazole kinase modulators ROCHE PALO ALTO LLC 2008-05-01 US disclosed
US-20080103142-A1 Benzotriazole kinase modulators ROCHE PALO ALTO LLC 2008-05-01 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-20080103142-A1 Benzotriazole kinase modulators CDK1, CDK3, MAPK1 MAPK8 61/4885MAPK9 65/4885MAPK10 50/4885

“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.