SCHEMBL1827637

SCHEMBL1827637

O=C(Nc1ccc(-n2c(-c3ccsc3)nnc2C(F)(F)F)cc1)c1cccc(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.42
CRACR2A Q9BSW2 3/20 0.41
LCLAT1 Q6UWP7 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
MCL1 Q07820 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
AKT1 P31749 1/20 0.36
ABL1 P00519 1/20 0.36
AURKB Q96GD4 1/20 0.35
MET P08581 1/20 0.35
LMNA P02545 1/20 0.35
IDO1 P14902 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
SCHEMBL1827757 0.85 MEN1 (0.48) AURKACRACR2ALCLAT1KDM4ENPC1
SCHEMBL8296851 0.84 NPC1 (0.43) CRACR2AKDM4ENPC1RAB9AALDH1A1
SCHEMBL16373486 0.79 CRACR2A (0.42) AURKACRACR2ALCLAT1KDM4ENPC1
SCHEMBL10187707 0.73 MEN1 (0.44) AURKACRACR2AKDM4ENPC1RAB9A
SCHEMBL2095424 0.72 MAPT (0.44) CRACR2ANPC1RAB9AALDH1A1TP53
SCHEMBL2092464 0.71 AKT1 (0.46) AURKACRACR2ATP53MAPTAKT1
SCHEMBL15000677 0.71 EGFR (0.43) CRACR2ANPC1RAB9AALDH1A1TP53
SCHEMBL2092336 0.70 CRACR2A (0.42) AURKACRACR2ALCLAT1KDM4ENPC1
SCHEMBL2094417 0.70 PTGS1 (0.43) AURKACRACR2AKDM4ENPC1RAB9A
SCHEMBL2094097 0.70 TRPC1 (0.46) AURKACRACR2AKDM4ENPC1RAB9A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651232-B1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2010-12-22 EP claimed
EP-1651232-A4 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2007-06-06 EP claimed
EP-1653968-A4 METHOD FOR MODULATING CALCIUM ION-RELEASE-ACTIVATED CALCIUM ION CHANNELS SYNTA PHARMACEUTICALS CORP (US) 2006-09-06 EP claimed
EP-1653968-A2 METHOD FOR MODULATING CALCIUM ION-RELEASE-ACTIVATED CALCIUM ION CHANNELS Synta Pharmaceuticals Corporation (US) 2006-05-10 EP claimed
EP-1651232-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2006-05-03 EP claimed
US-20050148633-A1 Calcium channel blockers and releasing ions for prodrugs SYNTA PHARMACEUTICALS CORP. 2005-07-07 US claimed
US-20050107436-A1 phenyl and pyridyl derivatives such as 3-Fluoro-N-(2'-trifluoromethyl-biphenyl-4-yl)-isonicotinamide, used as immunosuppressants for the treatmet or prevent inflammatory and immune disorders SYNTA PHARMACEUTICALS CORP. 2005-05-19 US claimed
WO-2005009954-A2 METHOD FOR MODULATING CALCIUM ION-RELEASE-ACTIVATED CALCIUM ION CHANNELS SYNTA PHARMACEUTICALS, CORP. (US) 2005-02-03 WO claimed
WO-2005009539-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS, CORP. (US) 2005-02-03 WO claimed
US-20150005320-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2015-01-01 US disclosed
US-20140107134-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-04-17 US disclosed
EP-2319516-A1 Compounds for treating inflammatory and autoimmune disorders Synta Pharmaceuticals Corp. (US) 2011-05-11 EP disclosed
EP-1651232-B1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2010-12-22 EP disclosed
EP-1651232-A4 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2007-06-06 EP disclosed
EP-1653968-A2 METHOD FOR MODULATING CALCIUM ION-RELEASE-ACTIVATED CALCIUM ION CHANNELS Synta Pharmaceuticals Corporation (US) 2006-05-10 EP disclosed
EP-1651232-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2006-05-03 EP disclosed
US-20050148633-A1 Calcium channel blockers and releasing ions for prodrugs SYNTA PHARMACEUTICALS CORP. 2005-07-07 US disclosed
US-20050107436-A1 phenyl and pyridyl derivatives such as 3-Fluoro-N-(2'-trifluoromethyl-biphenyl-4-yl)-isonicotinamide, used as immunosuppressants for the treatmet or prevent inflammatory and immune disorders SYNTA PHARMACEUTICALS CORP. 2005-05-19 US disclosed
WO-2005009954-A2 METHOD FOR MODULATING CALCIUM ION-RELEASE-ACTIVATED CALCIUM ION CHANNELS SYNTA PHARMACEUTICALS, CORP. (US) 2005-02-03 WO disclosed
WO-2005009539-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS, CORP. (US) 2005-02-03 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 (4 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-20140107134-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 AURKA 2873/4885CRACR2A 4147/4885LCLAT1 446/4885
US-20050148633-A1 Calcium channel blockers and releasing ions for prodrugs ORAI1, CACNA1C, CACNA1F AURKA 1892/4885CRACR2A 150/4885LCLAT1 1093/4885
US-20150005320-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 AURKA 2873/4885CRACR2A 4147/4885LCLAT1 446/4885
US-20050107436-A1 phenyl and pyridyl derivatives such as 3-Fluoro-N-(2'-trifluoromethyl-biphenyl-4-yl)-isonicotinamide, used as immunosuppressants for the treatmet or prevent inflammatory and immune disorders TPMT, PTPN3, FKBP3 AURKA 3130/4885CRACR2A 3388/4885LCLAT1 626/4885

“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.