SCHEMBL3764909

SCHEMBL3764909

O=C1CNCc2cc(F)c(F)cc2N1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.38
CMA1 P23946 2/20 0.38
DPP4 P27487 1/20 0.33
CA9 Q16790 1/20 0.33
EIF2AK2 P19525 1/20 0.33
HTR2C P28335 1/20 0.33
KIF11 P52732 1/20 0.33
PKM P14618 4/20 0.32
PGR P06401 1/20 0.31
CRBN Q96SW2 2/20 0.31
DDB1 Q16531 1/20 0.31
LMNA P02545 1/20 0.31
PDK2 Q15119 1/20 0.31

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
SCHEMBL13002460 0.86 PKM (0.37) AHRCMA1PKM
SCHEMBL8031052 0.78 HTR5A (0.44) AHRCMA1CA9EIF2AK2LMNA
SCHEMBL8018199 0.78 HTR5A (0.44) AHRCA9KIF11PKM
SCHEMBL548762 0.78 AHR (0.50) AHRCMA1EIF2AK2KIF11PGR
SCHEMBL4104017 0.76 CA9 (0.52) CA9KIF11PKMLMNA
SCHEMBL14361898 0.74 CYP11B1 (0.42) AHRCMA1HTR2CPGRCRBN
SCHEMBL24815804 0.73 CHRNB2 (0.37) HTR2C
SCHEMBL29594272 0.73 CHRNB2 (0.37) HTR2C
SCHEMBL22469472 0.73 MAPT (0.52) CA9KIF11PKMCRBNLMNA
SCHEMBL29134878 0.72 CMA1 (0.68) AHRCMA1CA9EIF2AK2CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250157-B1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LTD (IN) 2014-11-05 EP disclosed
EP-2250157-B1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LTD (IN) 2014-11-05 EP disclosed
US-8455479-B2 Heterocyclic compounds PANACEA BIOTEC LIMITED (IN) 2013-06-04 US disclosed
US-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC PHARMA LIMITED (IN) 2010-12-09 US 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-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS DPP4, DPP3, DPP8 AHR 1903/4885CMA1 471/4885DPP4 1/4885

“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.