SCHEMBL463638

SCHEMBL463638

NNc1nc2cc(C(F)(F)F)c(Cl)cc2nc1Cl

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PGK1 P00558 5/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
GLP1R P43220 2/20 0.33
HSP90AA1 P07900 1/20 0.32
NOTUM Q6P988 2/20 0.32
RAB9A P51151 1/20 0.31
IDO1 P14902 1/20 0.31
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 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
SCHEMBL462727 0.86 MAPT (0.38) MAPTKDM4ERXFP1PGK1MEN1
SCHEMBL10846397 0.82 PGK1 (0.44) PGK1GLP1R
SCHEMBL463566 0.82 GLP1R (0.40) RXFP1GLP1RNOTUMIDO1HTR3E
SCHEMBL462803 0.78 PGK1 (0.39) MAPTKDM4ERXFP1PGK1GLP1R
SCHEMBL7348872 0.76 KDM4E (0.49) MAPTKDM4ERXFP1MEN1KMT2A
SCHEMBL7350034 0.76 KDM4E (0.49) MAPTKDM4ERXFP1MEN1KMT2A
SCHEMBL10848966 0.75 PGK1 (0.41) MAPTKDM4ERXFP1PGK1MEN1
SCHEMBL462744 0.75 HRH4 (0.50) KDM4EPGK1HTR3EHTR3BHTR3A
SCHEMBL21642550 0.74 MAPT (0.36) MAPTKDM4ERXFP1ALDH1A1GAA
SCHEMBL8176585 0.73 MAPT (0.36) MAPTKDM4ERXFP1ALDH1A1GAA

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
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 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 (3 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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MAPT 2336/4885KDM4E 1897/4885RXFP1 471/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MAPT 2336/4885KDM4E 1897/4885RXFP1 471/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MAPT 2336/4885KDM4E 1897/4885RXFP1 471/4885

“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.