SCHEMBL8735125

SCHEMBL8735125

Cc1cnc(C(C)C)c2[nH]ccc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 3/20 0.42
AXL P30530 2/20 0.42
CCNK O75909 2/20 0.33
CDK12 Q9NYV4 2/20 0.33
BTK Q06187 1/20 0.33
CFB P00751 3/20 0.33
CIT O14578 2/20 0.32
PIK3C3 Q8NEB9 1/20 0.31
JAK3 P52333 1/20 0.31
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
TTBK1 Q5TCY1 1/20 0.30
TTBK2 Q6IQ55 1/20 0.30

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
SCHEMBL6127940 0.86 AXL (0.42) PRKCIAXLCCNKCDK12BTK
SCHEMBL8736950 0.84 TAAR1 (0.36) PRKCIAXLCCNKCDK12BTK
SCHEMBL2628879 0.77 PRKCI (0.47) PRKCIAXLCCNKCDK12BTK
SCHEMBL8737516 0.76 BTK (0.36) PRKCIAXLBTKJAK3TTBK1
SCHEMBL2628869 0.74 AXL (0.53) PRKCIAXLCCNKCDK12CFB
SCHEMBL21986162 0.74 AXL (0.44) PRKCIAXLCCNKCDK12CFB
SCHEMBL21726013 0.74 AXL (0.38) PRKCIAXLCCNKCDK12BTK
SCHEMBL27290679 0.71 AXL (0.42) PRKCIAXLCCNKCDK12CFB
SCHEMBL18819909 0.71 BTK (0.33) BTK
SCHEMBL13154921 0.71 PLAU (0.46) CCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129846-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-05-24 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-20120129846-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 PRKCI 325/4885AXL 4135/4885CCNK 3029/4885

“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.