SCHEMBL15435640

SCHEMBL15435640

CCc1ccn2cncc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.54
PRKCI P41743 1/20 0.38
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.35
PKM P14618 2/20 0.35
KLF5 Q13887 2/20 0.35
NAMPT P43490 1/20 0.35
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
IDO1 P14902 2/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
TP53 P04637 1/20 0.32
TRPA1 O75762 1/20 0.31
KDM1A O60341 1/20 0.31
NR3C1 P04150 1/20 0.31
CYP1A2 P05177 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
SCHEMBL24339261 0.81 TBXAS1 (0.57) TBXAS1PRKCINAMPTBRD4CREBBP
SCHEMBL21037102 0.81 TBXAS1 (0.50) TBXAS1PRKCIKDM4ENAMPTBRD4
SCHEMBL23686560 0.81 TBXAS1 (0.50) TBXAS1PRKCINAMPTBRD4CREBBP
SCHEMBL10647788 0.76 TBXAS1 (0.63) TBXAS1PRKCINAMPT
SCHEMBL25124500 0.74 TBXAS1 (0.40) TBXAS1PRKCINAMPTBRD4CREBBP
SCHEMBL20689775 0.73 TBXAS1 (0.40) TBXAS1PRKCINPC1NAMPTBRD4
SCHEMBL14669955 0.71 TBXAS1 (0.48) TBXAS1PRKCIKDM4ENAMPTBRD4
SCHEMBL10974966 0.71 TBXAS1 (0.67) TBXAS1NAMPT
SCHEMBL21355616 0.71 TBXAS1 (0.43) TBXAS1PRKCINAMPTBRD4CREBBP
SCHEMBL15246478 0.71 TBXAS1 (0.43) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820768-B2 4-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-21 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
WO-2019218024-A1 PAIN TREATING COMPOUNDS AND USES THEREOF BIONOMICS LIMITED (AU) 2019-11-21 WO disclosed
EP-2687518-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2014-01-22 EP 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-11820768-B2 4-azaindole compounds TLR7, TLR9, TLR5 TBXAS1 363/4885PRKCI 2317/4885KDM4E 1790/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP TBXAS1 1502/4885PRKCI 1350/4885KDM4E 2437/4885

“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.