SCHEMBL20132603

SCHEMBL20132603

Cc1c[nH]c2ncc(-c3cc(C(C)C)ccn3)cc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.44
BTK Q06187 7/20 0.44
ITK Q08881 7/20 0.44
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
MAP3K12 Q12852 7/20 0.43
AXL P30530 1/20 0.41
NTRK1 P04629 1/20 0.39
CCNT1 O60563 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
PIM1 P11309 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
SCHEMBL15345166 0.83 MET (0.48) METBTKITKPRMT5WDR77
SCHEMBL84584 0.77 MET (0.42) METBTKITKPRMT5WDR77
SCHEMBL20132695 0.75 BRD4 (0.45) BTKCDK9PIM1
SCHEMBL15341891 0.73 PIM1 (0.40) BTKCDK9PIM1
SCHEMBL19937778 0.72 BTK (0.47) METBTKITKPRMT5WDR77
SCHEMBL13466363 0.70 MAPK8 (0.51) PIM1
SCHEMBL13560244 0.70 KIT (0.59) BTKITKAXLNTRK1CCNT1
SCHEMBL15340892 0.69 PIM1 (0.39) PIM1
SCHEMBL11399098 0.69 CCR1 (0.48) BTKCDK9PIM1
SCHEMBL26528888 0.69 PIM1 (0.33) BTKCDK9PIM1

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-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 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-20180127388-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 MET 3530/4885BTK 1148/4885ITK 3422/4885

“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.