SCHEMBL449057

SCHEMBL449057

Fc1cccc(F)c1CNc1ccc(-c2cc(-c3nccs3)ccc2Cl)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 3/20 0.41
ORAI1 Q96D31 3/20 0.41
PORCN Q9H237 1/20 0.36
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CASP6 P55212 1/20 0.34
TRPM4 Q8TD43 1/20 0.34
FFAR1 O14842 1/20 0.34
KLKB1 P03952 1/20 0.34
ADRB2 P07550 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
LOXL2 Q9Y4K0 1/20 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
SCHEMBL450945 0.82 STIM1 (0.61) STIM1ORAI1PORCNCASP6TRPM4
Hydrochloric Acid SCHEMBL449732 0.81 STIM1 (0.60) STIM1ORAI1PORCNCASP6TRPM4
SCHEMBL2813597 0.81 IL2 (0.48) STIM1ORAI1VCP
Hydrochloric Acid SCHEMBL2814061 0.80 IL2 (0.48) STIM1ORAI1VCP
SCHEMBL8241308 0.73 CHEK2 (0.43) MEN1ALDH1A1KMT2ATRPM4ADRB2
SCHEMBL450085 0.71 YTHDC1 (0.46) TRPM4
SCHEMBL4767857 0.71 IL2 (0.61) PORCNNPSR1PTGDR2GAAMAPT
SCHEMBL437874 0.70 CYP3A4 (0.48) SMN1; SMN2TRPM4KDM4EMAPTL3MBTL1
SCHEMBL451660 0.70 STIM1 (0.42) STIM1ORAI1FFAR1MET
SCHEMBL2814289 0.69 IL2 (0.49)

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 7 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

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 STIM1 298/4885ORAI1 1633/4885PORCN 3521/4885

“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.