Sugi Predict

Sugi Predict / Compounds / SCHEMBL757181

SCHEMBL757181

SCHEMBL757181

O=C(Nc1ccn(Cc2ccc(C3CC3)cc2C(F)(F)F)n1)c1ccncc1Cl

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 2/20 0.49
▸ ORAI1 Q96D31 2/20 0.49
▸ ORAI3 Q9BRQ5 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.40
▸ MAPT P10636 1/20 0.40
▸ LMNA P02545 3/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RIPK1 Q13546 5/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ CRACR2A Q9BSW2 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ POLQ O75417 1/20 0.36

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
SCHEMBL758160 0.90 STIM1 (0.54) STIM1ORAI1ORAI3SMN1; SMN2NPSR1
SCHEMBL758185 0.90 STIM1 (0.49) STIM1ORAI1ORAI3SMN1; SMN2NPSR1
SCHEMBL30096567 0.90 STIM1 (0.52) STIM1ORAI1ORAI3SMN1; SMN2NPSR1
SCHEMBL755493 0.90 STIM1 (0.52) STIM1ORAI1ORAI3SMN1; SMN2NPSR1
Hydrochloric Acid SCHEMBL756068 0.89 STIM1 (0.48) STIM1ORAI1ORAI3SMN1; SMN2NPSR1
SCHEMBL759331 0.87 STIM1 (0.53) STIM1ORAI1ORAI3SMN1; SMN2NPSR1
SCHEMBL756398 0.87 STIM1 (0.65) STIM1ORAI1ORAI3SMN1; SMN2NPSR1
SCHEMBL756200 0.86 STIM1 (0.52) STIM1ORAI1ORAI3SMN1; SMN2NPSR1
SCHEMBL761267 0.83 STIM1 (0.49) STIM1ORAI1ORAI3SMN1; SMN2NPSR1
SCHEMBL30096558 0.83 STIM1 (0.60) STIM1ORAI1ORAI3SMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 — — US disclosed
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 — — US disclosed
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 — — US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 — — US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 — — US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 — — US disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 — — US disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 — — US disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 — — 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 (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-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS ORAI1, TRPV1, CACNA1E STIM1 33/4885ORAI1 1/4885ORAI3 25/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 STIM1 2564/4885ORAI1 3127/4885ORAI3 2440/4885

“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.