SCHEMBL18012903

SCHEMBL18012903

Cc1c(C(F)(F)F)cnc2[nH]ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 3/20 0.49
▸ AXL P30530 2/20 0.49
▸ ULK1 O75385 7/20 0.45
▸ JAK1 P23458 3/20 0.39
▸ NUDT1 P36639 2/20 0.39
▸ AURKA O14965 2/20 0.39
▸ JAK2 O60674 2/20 0.39
▸ KDR P35968 2/20 0.39
▸ PRKCA P17252 1/20 0.39
▸ CDK8 P49336 2/20 0.38
▸ RPS6KA3 P51812 2/20 0.37
▸ ROCK1 Q13464 2/20 0.36
▸ DAPK3 O43293 1/20 0.36
▸ PRKD3 O94806 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ PAK4 O96013 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ RET P07949 1/20 0.36
▸ IGF1R P08069 1/20 0.36

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
SCHEMBL26029093 0.84 PRKCI (0.50) PRKCIAXLJAK1NUDT1AURKA
SCHEMBL30543159 0.83 PRKCI (0.57) PRKCIAXLULK1JAK1NUDT1
SCHEMBL1467223 0.83 PRKCI (0.57) PRKCIAXLULK1JAK1NUDT1
SCHEMBL24656163 0.80 PRKCI (0.42) PRKCIAXLULK1JAK1NUDT1
SCHEMBL21893423 0.79 ULK1 (0.47) PRKCIAXLULK1JAK1NUDT1
SCHEMBL21855819 0.79 PRKCI (0.41) PRKCIAXLULK1JAK1NUDT1
SCHEMBL21677833 0.79 BRD4 (0.43) PRKCIAXLULK1JAK1AURKA
SCHEMBL19841350 0.79 PRKCI (0.41) PRKCIAXLULK1JAK1NUDT1
SCHEMBL20371789 0.79 PRKCI (0.45) PRKCIAXLULK1JAK1NUDT1
SCHEMBL16548436 0.77 PRKCI (0.53) PRKCIAXLJAK1NUDT1AURKA

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-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 — — US disclosed
EP-3052501-B1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF AGENCY SCIENCE TECH & RES (SG) 2022-06-22 — — EP disclosed
US-20160229860-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-08-11 — — 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 (2 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP PRKCI 1350/4885AXL 3955/4885ULK1 1241/4885
US-20160229860-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF MAPKAPK2, CAMKK2, MKNK2 PRKCI 410/4885AXL 3423/4885ULK1 249/4885

“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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