SCHEMBL3374258

SCHEMBL3374258

CC1=C(c2cnc(NC(=O)c3c(F)cc(F)cc3F)cn2)CN(c2ncccc2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 8/20 0.40
HTR1F P30939 5/20 0.39
HTR1A P08908 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
TRPV1 Q8NER1 3/20 0.39
HDAC6 Q9UBN7 1/20 0.39
STIM1 Q13586 1/20 0.38
ORAI1 Q96D31 1/20 0.38
ORAI2 Q96SN7 1/20 0.38
CHRM5 P08912 1/20 0.37
DRD5 P21918 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1E P28566 1/20 0.37
HTR7 P34969 1/20 0.37
OPRK1 P41145 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 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
Hydrochloric Acid SCHEMBL1782166 0.99 IL2 (0.39) IL2HTR1FHTR1AHTR1BHTR2A
SCHEMBL7922608 0.94 IL2 (0.43) IL2TRPV1HDAC6STIM1ORAI1
SCHEMBL1781058 0.93 HDAC6 (0.40) IL2TRPV1HDAC6STIM1ORAI1
SCHEMBL7922547 0.93 HDAC6 (0.40) IL2HTR1FHTR1AHTR1BHTR2A
Hydrochloric Acid SCHEMBL614560 0.93 IL2 (0.43) IL2TRPV1HDAC6STIM1ORAI1
SCHEMBL1780826 0.92 IL2 (0.38) IL2TRPV1HDAC6STIM1ORAI1
SCHEMBL615171 0.90 HTR1F (0.41) IL2HTR1FTRPV1HDAC6
Hydrochloric Acid SCHEMBL615236 0.89 HTR1F (0.40) IL2HTR1FTRPV1HDAC6
SCHEMBL614317 0.89 IL2 (0.44) IL2HTR1FHTR1AHTR1BHTR2A
SCHEMBL1782159 0.89 IL2 (0.42) IL2TRPV1HDAC6STIM1ORAI1

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-20130303542-A1 SUBSTITUTED PYRAZINAMIDE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2013-11-14 US disclosed
US-20120183579-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-07-19 US disclosed
US-20110118281-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2011-05-19 US disclosed
US-20110118281-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2011-05-19 US disclosed
US-20100125080-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-05-20 US disclosed
US-20100125080-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-05-20 US disclosed
WO-2010039236-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-04-08 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-20130303542-A1 SUBSTITUTED PYRAZINAMIDE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES NLRP3, NLRP1, CXCL8 IL2 5/4885HTR1F 3986/4885HTR1A 3605/4885
US-20100125080-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 IL2 11/4885HTR1F 3451/4885HTR1A 3258/4885
US-20120183579-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 IL2 11/4885HTR1F 3451/4885HTR1A 3258/4885
US-20110118281-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 IL2 11/4885HTR1F 3451/4885HTR1A 3258/4885

“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.