SCHEMBL1782027

SCHEMBL1782027

CC1=C(c2cnc(NC(=O)c3c(F)cccc3F)cn2)CN(Cc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.45
IL2 P60568 9/20 0.43
STIM1 Q13586 1/20 0.42
ORAI1 Q96D31 1/20 0.42
ORAI2 Q96SN7 1/20 0.42
PTGER1 P34995 1/20 0.41
MAP3K5 Q99683 1/20 0.40
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 2/20 0.38
NPC1 O15118 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
SCHEMBL8192641 0.89 ALDH1A1 (0.50) ALDH1A1KMT2AKDM4EMEN1RAB9A
SCHEMBL613596 0.87 ALDH1A1 (0.52) ALDH1A1KMT2AKDM4EMEN1RAB9A
SCHEMBL10101324 0.86 KDM4E (0.43) ALDH1A1KMT2AKDM4EMEN1RAB9A
SCHEMBL7928314 0.85 IL2 (0.49) KMT2AMEN1RAB9AIL2STIM1
SCHEMBL10101255 0.80 IL2 (0.44) ALDH1A1KMT2AKDM4EMEN1RAB9A
SCHEMBL1780921 0.80 IL2 (0.44) KMT2AMEN1RAB9AIL2STIM1
SCHEMBL986835 0.80 MAPT (0.54) ALDH1A1KMT2AKDM4EMEN1RAB9A
Hydrochloric Acid SCHEMBL614866 0.80 IL2 (0.44) ALDH1A1KMT2AKDM4EMEN1RAB9A
SCHEMBL7928293 0.80 IL2 (0.45) KMT2AMEN1RAB9AIL2STIM1
SCHEMBL12603939 0.80 IL2 (0.45) KMT2AMEN1RAB9AIL2STIM1

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 13 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
EP-2350004-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corp. (US) 2011-08-03 EP 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
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 ALDH1A1 2713/4885KMT2A 2601/4885KDM4E 1360/4885
US-20100125080-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 ALDH1A1 1672/4885KMT2A 4100/4885KDM4E 2266/4885
US-20120183579-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 ALDH1A1 1672/4885KMT2A 4100/4885KDM4E 2266/4885
US-20110118281-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 ALDH1A1 1672/4885KMT2A 4100/4885KDM4E 2266/4885

“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.