Sugi Predict

Sugi Predict / Compounds / SCHEMBL473433

SCHEMBL473433

SCHEMBL473433

Clc1cnc(NC2CCCCC2)nc1-n1nnc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 9/20 0.64
▸ MAPK9 P45984 9/20 0.64
▸ CDK2 P24941 8/20 0.64
▸ CCNE1 P24864 7/20 0.64
▸ MKNK2 Q9HBH9 5/20 0.64
▸ MKNK1 Q9BUB5 4/20 0.64
▸ MAPK10 P53779 7/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ CDK1 P06493 1/20 0.47
▸ CDK4 P11802 1/20 0.47
▸ CCNB1 P14635 1/20 0.47
▸ CCND1 P24385 1/20 0.47
▸ GSK3A P49840 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ CTSC P53634 1/20 0.44
▸ CDK7 P50613 1/20 0.44
▸ CDK9 P50750 1/20 0.44
▸ MAPK3 P27361 1/20 0.42
▸ LCK P06239 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
SCHEMBL473484 0.87 MAPK8 (0.64) MAPK8MAPK9CDK2CCNE1MKNK2
SCHEMBL473495 0.87 MAPK8 (0.64) MAPK8MAPK9CDK2CCNE1MKNK2
SCHEMBL8213748 0.86 MAPK8 (0.55) MAPK8MAPK9CDK2CCNE1MKNK2
SCHEMBL473567 0.86 MAPK8 (0.55) MAPK8MAPK9CDK2CCNE1MKNK2
SCHEMBL473565 0.86 MAPK8 (0.55) MAPK8MAPK9CDK2CCNE1MKNK2
SCHEMBL473589 0.83 MAPK8 (0.53) MAPK8MAPK9CDK2CCNE1MKNK2
SCHEMBL14191510 0.83 MAPK8 (0.53) MAPK8MAPK9CDK2CCNE1MKNK2
SCHEMBL8218219 0.82 MKNK2 (0.49) MAPK8MAPK9CDK2CCNE1MKNK2
SCHEMBL5096609 0.81 MAPK8 (0.53) MAPK8MAPK9CDK2CCNE1MKNK2
SCHEMBL473562 0.81 MAPK8 (0.53) MAPK8MAPK9CDK2CCNE1MKNK2

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 11 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
EP-2066319-B1 BENZOTRIAZOLE KINASE MODULATORS HOFFMANN LA ROCHE (CH) 2012-02-01 — — EP disclosed
EP-2066319-A1 BENZOTRIAZOLE KINASE MODULATORS F. Hoffmann-Roche AG (CH) 2009-06-10 — — 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
WO-2008028860-A1 BENZOTRIAZOLE KINASE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-13 — — WO disclosed
WO-2008028860-A1 BENZOTRIAZOLE KINASE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-13 — — WO 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 65/4885CDK2 4/4885

“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.