SCHEMBL743593

SCHEMBL743593

Nc1nc2ccccc2c2nc(-c3cccnc3)nn12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.58
THRB P10828 3/20 0.57
MAPT P10636 1/20 0.57
POLB P06746 2/20 0.55
ADORA3 P0DMS8 3/20 0.55
ADORA1 P30542 3/20 0.55
TP53 P04637 2/20 0.54
F12 P00748 1/20 0.50
ADORA2A P29274 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47

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
SCHEMBL22987825 0.78 CSNK1D (0.59) RXFP1MAPTADORA3ADORA1TP53
SCHEMBL6713836 0.77 ADORA3 (0.80) THRBADORA3ADORA1ADORA2A
SCHEMBL22988309 0.75 ADORA3 (0.53) MAPTPOLBADORA3ADORA1TP53
SCHEMBL22988304 0.75 ADORA3 (0.65) THRBMAPTPOLBADORA3ADORA1
SCHEMBL22987873 0.75 ADORA3 (0.50) RXFP1THRBMAPTPOLBADORA3
SCHEMBL22988235 0.74 ADORA3 (0.51) MAPTADORA3ADORA1TP53ADORA2A
SCHEMBL22988124 0.73 ADORA3 (0.48) RXFP1THRBMAPTPOLBADORA3
SCHEMBL24209870 0.73 ADORA3 (0.71) MAPTADORA3ADORA1ADORA2ACYP1A2
SCHEMBL13272569 0.73 CYP1A2 (0.62) MAPTPOLBTP53SMN1; SMN2CYP1A2
SCHEMBL30804557 0.73 CYP1A2 (0.62) MAPTPOLBTP53SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138356-B2 Chemical inhibitors of inhibitors of differentiation Angiogeney, Inc. (US) 2012-03-20 US disclosed
US-20110015137-A1 RECA INHIBITORS AND THEIR USES AS MICROBIAL INHIBITORS OR POTENTIATORS OF ANTIBIOTIC ACTIVITY TRUSTEES OF BOSTON UNIVERSITY (US) 2011-01-20 US disclosed
US-20090226422-A1 Chemical Inhibitors of Inhibitors of Differentiation ANGIOGENEX 2009-09-10 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 (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-20110015137-A1 RECA INHIBITORS AND THEIR USES AS MICROBIAL INHIBITORS OR POTENTIATORS OF ANTIBIOTIC ACTIVITY CGAS, RPIA, CLPP RXFP1 2265/4885THRB 2971/4885MAPT 3817/4885
US-20090226422-A1 Chemical Inhibitors of Inhibitors of Differentiation BRAF, MAPK1, RAF1 RXFP1 191/4885THRB 2056/4885MAPT 2323/4885

“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.