SCHEMBL19203784

SCHEMBL19203784

CCCc1ccn2cncc2c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.58
PRKCI P41743 1/20 0.37
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
NAMPT P43490 1/20 0.34
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
LCK P06239 1/20 0.32
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
GFER P55789 1/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL23686560 0.81 TBXAS1 (0.50) TBXAS1PRKCINAMPTBRD4CREBBP
SCHEMBL24339261 0.79 TBXAS1 (0.57) TBXAS1PRKCINAMPTBRD4CREBBP
SCHEMBL21037102 0.78 TBXAS1 (0.50) TBXAS1PRKCICNR1NAMPTBRD4
SCHEMBL25124500 0.75 TBXAS1 (0.40) TBXAS1PRKCINAMPTBRD4CREBBP
SCHEMBL10974966 0.74 TBXAS1 (0.67) TBXAS1NAMPT
SCHEMBL29304893 0.74 TBXAS1 (0.57) TBXAS1CNR1CNR2NAMPTLCK
SCHEMBL26108096 0.72 TBXAS1 (0.48) TBXAS1NAMPT
SCHEMBL12093717 0.72 TBXAS1 (0.43) TBXAS1PRKCINAMPTBRD4CREBBP
SCHEMBL20689775 0.70 TBXAS1 (0.40) TBXAS1PRKCINAMPTBRD4CREBBP
SCHEMBL14669955 0.69 TBXAS1 (0.48) TBXAS1PRKCINAMPTBRD4CREBBP

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-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 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-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 TBXAS1 1602/4885PRKCI 75/4885CNR1 4303/4885

“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.