SCHEMBL2902103

SCHEMBL2902103

CCCCNc1nc(C(F)(F)F)ncc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
FOS P01100 4/20 0.44
JUN P05412 4/20 0.44
NFKB1 P19838 4/20 0.44
NFKB2 Q00653 4/20 0.44
RELA Q04206 4/20 0.44
HCAR3 P49019 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TLR7 Q9NYK1 2/20 0.41
TYRO3 Q06418 4/20 0.40
MERTK Q12866 4/20 0.40
GAS6 Q14393 4/20 0.40
TLR8 Q9NR97 1/20 0.40
MAPK8 P45983 1/20 0.40
FLT3 P36888 3/20 0.39
AXL P30530 1/20 0.39
SIRT5 Q9NXA8 2/20 0.39

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
SCHEMBL2902606 0.86 REN (0.46) FOSJUNNFKB1NFKB2RELA
SCHEMBL15635501 0.84 FOS (0.40) FOSJUNNFKB1NFKB2RELA
SCHEMBL2902975 0.84 FOS (0.47) FOSJUNNFKB1NFKB2RELA
SCHEMBL17363180 0.80 CCNE2 (0.50) FOSJUNNFKB1NFKB2RELA
SCHEMBL14319639 0.78 KDM6B (0.47) KDM6BKDM4CHCAR3KDM4EALDH1A1
SCHEMBL2902620 0.78 MERTK (0.60) FOSJUNNFKB1NFKB2RELA
SCHEMBL2901196 0.77 KDM6B (0.46) KDM6BKDM4CHCAR3TLR7TYRO3
SCHEMBL5063130 0.76 KDM6B (0.45) KDM6BKDM4CHCAR3KDM4EALDH1A1
SCHEMBL2894732 0.76 AGTR2 (0.53) KDM6BKDM4CKDM4EALDH1A1KMT2A
SCHEMBL15639612 0.76 CDK2 (0.46) FOSJUNNFKB1NFKB2RELA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2202228-B1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL (JP) 2014-12-10 EP disclosed
US-8329691-B2 Amide compounds and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US disclosed
US-8329691-B2 Amide compounds and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US disclosed
US-8329691-B2 Amide compounds and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US disclosed
US-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-23 US disclosed
US-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-23 US disclosed
US-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-23 US disclosed
EP-2202228-A1 AMIDE COMPOUNDS AND USE OF THE SAME Takeda Pharmaceutical Company Limited (JP) 2010-06-30 EP disclosed
EP-2202228-A1 AMIDE COMPOUNDS AND USE OF THE SAME Takeda Pharmaceutical Company Limited (JP) 2010-06-30 EP 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 (1 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-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME REN, ACE, AGT KDM6B 1361/4885KDM4C 1170/4885FOS 1058/4885

“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.