SCHEMBL5494574

SCHEMBL5494574

Cc1cnc(C(=O)NC2CC2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.48
▸ MAPK14 Q16539 4/20 0.47
▸ SMYD3 Q9H7B4 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ HPGD P15428 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ PDE4B Q07343 2/20 0.44
▸ CRHR1 P34998 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ MCHR1 Q99705 1/20 0.43
▸ MAPK11 Q15759 1/20 0.43

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
SCHEMBL22468535 0.83 ABL1 (0.49) ABL1MAPK14SMYD3NPC1RAB9A
SCHEMBL18725444 0.81 CNR1 (0.52) —
SCHEMBL18725446 0.81 CNR1 (0.52) —
SCHEMBL18725447 0.81 CNR1 (0.52) —
SCHEMBL29952772 0.81 ABL1 (0.47) ABL1MAPK14SMYD3NPC1RAB9A
SCHEMBL24958916 0.77 ABL1 (0.53) ABL1NPC1RAB9A
SCHEMBL178410 0.76 CNR1 (0.52) ABL1MAPK14SMYD3HPGDNPC1
SCHEMBL14315886 0.74 SIRT6 (0.50) SMYD3
SCHEMBL935259 0.73 KMO (0.51) —
SCHEMBL19661275 0.72 HTR4 (0.51) SMYD3NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 — — EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 — — EP disclosed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 — — EP disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 — — US disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 — — 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-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 ABL1 32/4885MAPK14 301/4885SMYD3 3631/4885

“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.

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