SCHEMBL31044784

SCHEMBL31044784

Cc1cc2c(Cl)nc(-c3ccoc3)nc2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.38
TMIGD3 P0DMS9 2/20 0.38
CYP1A2 P05177 6/20 0.37
CYP3A4 P08684 6/20 0.37
CYP2D6 P10635 6/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
CYP2C19 P33261 4/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
HSD17B10 Q99714 3/20 0.37
USP2 O75604 3/20 0.37
CLK4 Q9HAZ1 3/20 0.37
ALOX15 P16050 1/20 0.37
ADORA2A P29274 3/20 0.36
ADORA3 P0DMS8 2/20 0.36
ADORA2B P29275 2/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 3/20 0.34

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
SCHEMBL29991671 0.83 ADORA2A (0.46) ADORA1TMIGD3ADORA2A
SCHEMBL20668057 0.80 LMNA (0.50) ADORA1MEN1KMT2AALDH1A1MAPT
SCHEMBL31045057 0.80 FLT3 (0.41) CYP1A2MEN1KMT2ACYP2C19ALDH1A1
SCHEMBL5118573 0.78 PRKCI (0.41) ADORA1MEN1KMT2AALDH1A1ADORA2A
SCHEMBL31044906 0.77 FLT3 (0.53) MEN1KMT2AALDH1A1MAPTADORA2A
SCHEMBL31044774 0.77 CYP1A2 (0.36) ADORA1TMIGD3CYP1A2CYP3A4CYP2D6
SCHEMBL31045077 0.76 ADORA3 (0.37) ADORA1ALDH1A1ADORA2AADORA3ADORA2B
SCHEMBL31044873 0.76 ADORA2A (0.43) ADORA1KMT2AMAPTADORA2AADORA3
SCHEMBL31044817 0.75 FLT3 (0.54) ADORA1ALDH1A1HSD17B10ADORA2AADORA3
SCHEMBL31045127 0.75 ADORA2A (0.42) ADORA1ALDH1A1MAPTADORA2AKDM4E

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-20240279236-A1 COMPOUNDS AND METHODS OF TREATING TUBERCULOSIS FIMBRION THERAPEUTICS, INC. (US) 2024-08-22 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-20240279236-A1 COMPOUNDS AND METHODS OF TREATING TUBERCULOSIS G6PD, SDHA, NQO1 ADORA1 3648/4885TMIGD3 4023/4885CYP1A2 1577/4885

“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.