SCHEMBL404397

SCHEMBL404397

Cc1cc2c(cc1F)nc(N1CCN(C(=O)OC(C)(C)C)CC1)c1nncn12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
HRH4 Q9H3N8 4/20 0.45
HRH3 Q9Y5N1 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 4/20 0.45
MAPT P10636 4/20 0.45
HSD17B10 Q99714 4/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.44
POLB P06746 2/20 0.43
ESR1 P03372 1/20 0.43
MAPK1 P28482 2/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
CASP7 P55210 1/20 0.41
PKM P14618 1/20 0.41
GPR119 Q8TDV5 1/20 0.39
GRIA1 P42261 1/20 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
SCHEMBL462720 0.90 KDM4E (0.49) KDM4EHRH4HRH3SMN1; SMN2TP53
SCHEMBL463615 0.89 KDM4E (0.48) KDM4EHRH4HRH3SMN1; SMN2TP53
SCHEMBL404402 0.82 KDM4E (0.50) KDM4EHRH4HRH3SMN1; SMN2TP53
SCHEMBL404405 0.82 HRH4 (0.66) KDM4EHRH4HRH3SMN1; SMN2TP53
SCHEMBL404380 0.82 KDM4E (0.56) KDM4EHRH4HRH3SMN1; SMN2TP53
SCHEMBL12225208 0.82 KDM4E (0.47) KDM4EHRH4HRH3SMN1; SMN2TP53
SCHEMBL16327057 0.81 HRH4 (0.45) KDM4EHRH4HRH3TP53MAPT
SCHEMBL12245647 0.81 HRH4 (0.48) KDM4EHRH4HRH3SMN1; SMN2TP53
SCHEMBL404250 0.81 HRH4 (0.67) KDM4EHRH4HRH3TP53MAPT
SCHEMBL440093 0.80 KDM4E (0.59) KDM4EHRH4HRH3SMN1; SMN2TP53

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 KDM4E 1897/4885HRH4 1/4885HRH3 2/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 KDM4E 1897/4885HRH4 1/4885HRH3 2/4885

“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.