SCHEMBL5034948

SCHEMBL5034948

Cc1ccc(-c2ncco2)cc1Nc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.52
LTA4H P09960 1/20 0.46
HPGDS O60760 1/20 0.43
PIN1 Q13526 1/20 0.43
ALK Q9UM73 4/20 0.42
TRPM4 Q8TD43 1/20 0.41
MAPK10 P53779 1/20 0.39
IL2 P60568 1/20 0.39
CAMKK2 Q96RR4 1/20 0.39
HDAC4 P56524 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL5027378 0.84 IL2 (0.44) P2RX7LTA4HHPGDSPIN1IL2
SCHEMBL5028506 0.78 P2RX7 (0.45) P2RX7LTA4HTRPM4IL2
Hydrochloric Acid SCHEMBL5033017 0.75 P2RX7 (0.41) P2RX7LTA4HIL2
SCHEMBL28907410 0.75 ALK (0.49) P2RX7ALKCAMKK2
SCHEMBL18930006 0.75 NPC1 (0.46) P2RX7LTA4HHPGDSIL2
SCHEMBL8628488 0.74 HPGDS (0.51) P2RX7LTA4HHPGDSIL2HDAC4
SCHEMBL13104973 0.72 LTA4H (0.41) P2RX7LTA4HHPGDSTRPM4IL2
SCHEMBL377220 0.71 IL2 (0.46) P2RX7LTA4HHPGDSIL2
SCHEMBL10317579 0.71 NPC1 (0.51) P2RX7LTA4HHPGDSIL2ALDH1A1
SCHEMBL4764672 0.71 LTA4H (0.42) P2RX7LTA4HHPGDSIL2HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140121217-A1 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-05-01 US disclosed
US-8623871-B2 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-01-07 US disclosed
EP-1998612-A2 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-12-10 EP disclosed
US-20070254363-A1 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US disclosed
WO-2007087442-A2 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO 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-20070254363-A1 Substituted biaryl compounds for inflammation and immune-related uses CCR1, CCR3, CXCR2 P2RX7 257/4885LTA4H 122/4885HPGDS 738/4885
US-20140121217-A1 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CCR3, CXCR2 P2RX7 257/4885LTA4H 122/4885HPGDS 738/4885

“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.