SCHEMBL1782601

SCHEMBL1782601

CC1=C(c2cnc(NC(=O)c3ccc(F)cc3Cl)cn2)CN(c2ncccc2F)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
GRM4 Q14833 1/20 0.40
TRPV1 Q8NER1 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
STIM1 Q13586 1/20 0.37
ORAI1 Q96D31 1/20 0.37
ORAI2 Q96SN7 1/20 0.37
WDR5 P61964 2/20 0.37
HDAC6 Q9UBN7 1/20 0.36
P2RX7 Q99572 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTR1F P30939 1/20 0.36
MALT1 Q9UDY8 1/20 0.35
SLC6A9 P48067 2/20 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
SCHEMBL1784219 0.94 STIM1 (0.39) TP53THRBTRPV1NPC1RAB9A
SCHEMBL615171 0.93 HTR1F (0.41) TP53TRPV1NPC1RAB9AHDAC6
Hydrochloric Acid SCHEMBL615236 0.92 HTR1F (0.40) TP53TRPV1NPC1RAB9AHDAC6
SCHEMBL1783798 0.91 IL2 (0.43) TP53THRBTRPV1NPC1RAB9A
SCHEMBL1782706 0.90 IL2 (0.41) TRPV1HDAC6ALDH1A1
SCHEMBL1782267 0.88 P2RX7 (0.39) TP53TRPV1NPC1RAB9ASTIM1
SCHEMBL3374258 0.86 IL2 (0.40) GRM4TRPV1STIM1ORAI1ORAI2
SCHEMBL1782064 0.86 TRPV1 (0.39) TP53GRM4TRPV1NPC1RAB9A
SCHEMBL616220 0.85 PIK3C3 (0.39) TP53THRBNPC1RAB9AHTR1F
Hydrochloric Acid SCHEMBL1782166 0.85 IL2 (0.39) GRM4TRPV1STIM1ORAI1ORAI2

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 11 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-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-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-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
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 TP53 436/4885THRB 3494/4885GRM4 3437/4885
US-20100125080-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 TP53 516/4885THRB 4255/4885GRM4 2770/4885
US-20120183579-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 TP53 516/4885THRB 4255/4885GRM4 2770/4885
US-20110118281-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 TP53 516/4885THRB 4255/4885GRM4 2770/4885

“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.