SCHEMBL437874

SCHEMBL437874

Cc1ccccc1C(=O)Nc1ccc(-c2cc(-c3nccs3)ccc2Cl)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.48
ADORA2A P29274 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPT P10636 3/20 0.46
GRM4 Q14833 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
STAT1 P42224 1/20 0.45
RAB9A P51151 1/20 0.45
DHODH Q02127 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MCL1 Q07820 1/20 0.43
PTGES O14684 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TRPM4 Q8TD43 1/20 0.42
ALB P02768 1/20 0.42
HTR1A P08908 1/20 0.42
SLC6A2 P23975 1/20 0.42
PDE4A P27815 1/20 0.42

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
SCHEMBL2817873 0.90 PPARG (0.44) DHODHMCL1TRPM4ALBHTR1A
SCHEMBL450085 0.87 YTHDC1 (0.46) GRM4MCL1PTGESTRPM4
SCHEMBL2813597 0.82 IL2 (0.48) NPC1RAB9A
Hydrochloric Acid SCHEMBL2814061 0.81 IL2 (0.48) NPC1RAB9A
SCHEMBL2813632 0.81 MCL1 (0.44) CYP3A4ADORA2ACYP2C19MAPTMCL1
SCHEMBL4768209 0.80 F2 (0.42) CYP3A4ADORA2ACYP2C19NPC1RAB9A
SCHEMBL2814289 0.77 IL2 (0.49) NPC1RAB9A
SCHEMBL5527801 0.76 EIF4E (0.42) CYP3A4CYP2C19MAPTMCL1SMN1; SMN2
Hydrochloric Acid SCHEMBL2813431 0.76 IL2 (0.49) NPC1RAB9A
SCHEMBL13628641 0.76 ALB (0.67) MAPTGRM4KDM4EDHODHPTGES

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-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (MA) 2012-03-15 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-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES IL5, CXCR3, TSLP CYP3A4 356/4885ADORA2A 242/4885CYP2C19 639/4885

“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.