SCHEMBL2436013

SCHEMBL2436013

CCC(C(N)=O)c1cnccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
TSHR P16473 1/20 0.43
MC4R P32245 1/20 0.43
ADRA1A P35348 1/20 0.43
MC3R P41968 1/20 0.43
KDM4E B2RXH2 5/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
NAPRT Q6XQN6 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
RAB9A P51151 4/20 0.36
KMT2A Q03164 2/20 0.36
BAZ2B Q9UIF8 1/20 0.35
ATM Q13315 1/20 0.35
NPC1 O15118 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 2/20 0.33

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
SCHEMBL11880506 0.83 BAZ2B (0.43) GAATHRBADORA3TSHRMC4R
SCHEMBL8602186 0.81 ADORA3 (0.42) GAATHRBADORA3TSHRMC4R
SCHEMBL1838866 0.77 ADORA3 (0.47) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL31741261 0.76 ALDH1A1 (0.50) GAATSHRADRA1AKDM4ELMNA
SCHEMBL2432679 0.76 ALDH1A1 (0.50) GAATSHRADRA1AKDM4ELMNA
SCHEMBL1850641 0.76 POLB (0.34) KDM4ELMNAHTTRAB9AATM
SCHEMBL7355550 0.75 RECQL (0.47) KDM4ELMNANAPRTKMT2ASIRT3
SCHEMBL8602182 0.75 ADORA3 (0.42) GAATHRBADORA3TSHRMC4R
SCHEMBL13884664 0.74 ADORA3 (0.48) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL18128788 0.74 ADORA3 (0.44) ADORA3TSHRMC4RADRA1AMC3R

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-20110230428-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2011-09-22 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-20110230428-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, MAOA GAA 236/4885THRB 2712/4885ADORA3 381/4885

“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.