SCHEMBL404420

SCHEMBL404420

NCCNc1nc2ccc(Cl)cc2n2cnnc12

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
RXFP1 Q9HBX9 4/20 0.63
TP53 P04637 2/20 0.63
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
RAB9A P51151 2/20 0.55
POLB P06746 1/20 0.55
NPC1 O15118 2/20 0.54
HRH4 Q9H3N8 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL406012 0.80 SMN1; SMN2 (0.74) MAPTSMN1; SMN2RXFP1TP53KMT2A
SCHEMBL10847842 0.79 RXFP1 (0.65) MAPTSMN1; SMN2RXFP1TP53KMT2A
SCHEMBL405269 0.76 HRH4 (0.60) MAPTSMN1; SMN2RXFP1TP53KMT2A
SCHEMBL404421 0.75 HRH4 (0.51) MAPTSMN1; SMN2RXFP1TP53KMT2A
SCHEMBL440822 0.74 RXFP1 (0.52) MAPTSMN1; SMN2RXFP1TP53KMT2A
SCHEMBL12224096 0.74 MAPT (0.54) MAPTSMN1; SMN2RXFP1TP53KMT2A
SCHEMBL439933 0.73 MAPT (0.51) MAPTSMN1; SMN2RXFP1TP53KMT2A
SCHEMBL10885283 0.73 TP53 (0.63) MAPTSMN1; SMN2RXFP1TP53KMT2A
SCHEMBL2536841 0.72 MAPT (0.53) MAPTSMN1; SMN2RXFP1TP53KMT2A
SCHEMBL405937 0.72 SMN1; SMN2 (0.56) MAPTSMN1; SMN2RXFP1TP53KMT2A

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 6 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-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-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 2336/4885SMN1; SMN2 4774/4885RXFP1 471/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MAPT 2336/4885SMN1; SMN2 4774/4885RXFP1 471/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MAPT 2336/4885SMN1; SMN2 4774/4885RXFP1 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.