SCHEMBL2785468

SCHEMBL2785468

Nc1ccc(-c2cc(C(F)(F)F)ccc2Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.57
IL2 P60568 1/20 0.49
FFAR4 Q5NUL3 1/20 0.48
KDM1A O60341 1/20 0.45
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
RORC P51449 1/20 0.40
RORB Q92753 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
CYP3A4 P08684 2/20 0.38
PDE2A O00408 2/20 0.38
EIF4E P06730 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
RIPK1 Q13546 1/20 0.37

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
SCHEMBL4661325 0.86 KIF11 (0.57) KIF11TSHRMAPK1PTGDR2RORC
SCHEMBL28806082 0.81 KIF11 (0.52) KIF11IL2FFAR4TSHRPTGDR2
SCHEMBL3787150 0.81 KIF11 (0.61) KIF11TSHRMAPK1ALDH1A1MAPT
SCHEMBL19785385 0.80 PDE2A (0.47) IL2KDM1ATSHRALDH1A1CYP3A4
SCHEMBL1827783 0.80 KIF11 (0.59) KIF11TSHRMAPK1CYP3A4
SCHEMBL28087912 0.79 IL2 (0.50) KIF11IL2FFAR4PTGDR2ALDH1A1
SCHEMBL2814348 0.79 NPBWR1 (0.53) IL2FFAR4KDM1AALDH1A1CYP1A2
SCHEMBL3907992 0.79 KIF11 (0.57) KIF11TSHRMAPK1RORCRORB
SCHEMBL21019702 0.78 RORB (0.62) TSHRMAPK1RORCRORBMAPT
SCHEMBL8257490 0.78 KDM4E (0.56) KDM1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150005320-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2015-01-01 US claimed
US-20140107134-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-04-17 US claimed
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-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-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 KIF11 4291/4885IL2 27/4885FFAR4 965/4885
US-20050148633-A1 Calcium channel blockers and releasing ions for prodrugs ORAI1, CACNA1C, CACNA1F KIF11 4063/4885IL2 3119/4885FFAR4 706/4885
US-20150005320-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 KIF11 4291/4885IL2 27/4885FFAR4 965/4885
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 KIF11 3941/4885IL2 72/4885FFAR4 1742/4885

“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.