SCHEMBL451402

SCHEMBL451402

Cc1cc[nH]c1C(=O)Nc1ccc(-c2cc(-c3nccs3)ccc2Cl)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
ABL1 P00519 1/20 0.38
GRM1 Q13255 1/20 0.38
CHEK2 O96017 1/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
HDAC2 Q92769 1/20 0.36
MAPK14 Q16539 1/20 0.35
SMO Q99835 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DEGS1 O15121 1/20 0.35
WNT3A P56704 3/20 0.35
PTGES O14684 1/20 0.35

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
SCHEMBL2815050 0.82 ABCB1 (0.42) NPC1PKMRAB9AABL1CHEK2
SCHEMBL440417 0.81 NAMPT (0.43) NTRK1NPC1PKMRAB9AABL1
SCHEMBL438956 0.80 STIM1 (0.50) NPC1PKMRAB9AABL1KDM4E
SCHEMBL5531238 0.79 POLB (0.45) NPC1PKMRAB9AABL1CHEK2
SCHEMBL2813073 0.78 IL2 (0.47) NPC1PKMRAB9AABL1HDAC2
SCHEMBL437854 0.77 GSK3B (0.39) CHEK2HDAC2DEGS1PORCN
SCHEMBL437873 0.77 SMN1; SMN2 (0.55) NPC1RAB9AABL1KDM4EHDAC2
SCHEMBL438987 0.76 L3MBTL1 (0.45) NPC1PKMRAB9AABL1ALDH1A1
SCHEMBL437850 0.76 NPC1 (0.43) NPC1RAB9AABL1CHEK2KDM4E
SCHEMBL14562850 0.73 PORCN (0.37) NTRK1ABL1CHEK2HDAC2MAPK14

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 8 patents. 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 claimed
EP-2182808-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2010-05-12 EP claimed
WO-2009017819-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-02-05 WO claimed
US-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (MA) 2012-03-15 US disclosed
US-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (MA) 2012-03-15 US disclosed
EP-2182808-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2010-05-12 EP disclosed
WO-2009017819-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-02-05 WO disclosed
WO-2009017819-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-02-05 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 (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 NTRK1 3467/4885NPC1 3448/4885PKM 1530/4885

“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.