SCHEMBL404355

SCHEMBL404355

Cc1cc(F)c2nc(N3CCNCC3)c3nncn3c2c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 15/20 0.54
HRH3 Q9Y5N1 3/20 0.49
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43

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
SCHEMBL12225202 0.88 HRH4 (0.56) HRH4HRH3POLBMAPK1KMT2A
SCHEMBL404354 0.87 HRH4 (0.65) HRH4HRH3POLBMAPK1KMT2A
SCHEMBL405699 0.86 HRH4 (0.65) HRH4HRH3KMT2ATP53MAPT
SCHEMBL405802 0.86 HRH4 (0.65) HRH4HRH3POLBMAPK1KMT2A
Hydrochloric Acid SCHEMBL442804 0.85 HRH4 (0.64) HRH4HRH3KMT2ATP53MAPT
SCHEMBL438056 0.84 HRH4 (0.52) HRH4HRH3POLBTP53MAPT
SCHEMBL12224937 0.84 HRH4 (0.52) HRH4HRH3POLBMAPK1KMT2A
SCHEMBL12225215 0.83 HRH4 (0.51) HRH4HRH3POLBMAPK1KMT2A
SCHEMBL406769 0.80 MAPT (0.49) HRH4HRH3POLBMAPK1KMT2A
SCHEMBL405849 0.80 HRH4 (0.53) HRH4HRH3POLBMAPK1KMT2A

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 HRH4 1/4885HRH3 2/4885POLB 4705/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HRH3 2/4885POLB 4705/4885

“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.