SCHEMBL4932040

SCHEMBL4932040

c1cc(-c2cncc(NC3CCNC3)c2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 9/20 0.46
PIM1 P11309 2/20 0.46
AXL P30530 3/20 0.43
PRKCZ Q05513 4/20 0.42
PRKD2 Q9BZL6 3/20 0.42

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
SCHEMBL4930817 0.92 PIM1 (0.53) PRKCIPIM1PRKCZ
SCHEMBL639635 0.80 PRKCI (0.49) PRKCIAXLPRKCZ
SCHEMBL14416945 0.80 PRKCI (0.49) PRKCIAXLPRKCZ
SCHEMBL639634 0.80 PRKCI (0.49) PRKCIAXLPRKCZ
SCHEMBL15830444 0.77 SYK (0.42) AXL
SCHEMBL21299954 0.77 AXL (0.39) PIM1AXL
SCHEMBL23012617 0.75 CHRNB2 (0.48) PRKCIPIM1AXLPRKCZ
SCHEMBL7098800 0.75 CHRNB2 (0.48) PRKCIPIM1AXLPRKCZ
SCHEMBL23013465 0.75 CHRNB2 (0.48) PRKCIPIM1AXLPRKCZ
SCHEMBL4925453 0.74 ROCK2 (0.45) PIM1

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-20080194584-A1 Nitrogen Heteroaromatic Compounds Which Bind To The Active Site Of Protein Kinase Enzymes GALAPAGOS NV (BE) 2008-08-14 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-20080194584-A1 Nitrogen Heteroaromatic Compounds Which Bind To The Active Site Of Protein Kinase Enzymes ROCK1, TNK2, GRK1 PRKCI 800/4885PIM1 1463/4885AXL 1400/4885

“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.