SCHEMBL2536841

SCHEMBL2536841

CC(N)(CN)c1nc2ccc(Cl)cc2n2cnnc12

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HRH4 Q9H3N8 2/20 0.51
HRH3 Q9Y5N1 1/20 0.51
RXFP1 Q9HBX9 3/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 2/20 0.47
TP53 P04637 2/20 0.47
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
Ammonia Solution, Strong SCHEMBL439934 0.86 HRH4 (0.54) MAPTSMN1; SMN2HRH4HRH3RXFP1
SCHEMBL405269 0.75 HRH4 (0.60) MAPTSMN1; SMN2HRH4HRH3RXFP1
SCHEMBL404421 0.74 HRH4 (0.51) MAPTSMN1; SMN2HRH4HRH3RXFP1
SCHEMBL440822 0.73 RXFP1 (0.52) MAPTSMN1; SMN2HRH4HRH3RXFP1
SCHEMBL404420 0.72 MAPT (0.65) MAPTSMN1; SMN2HRH4HRH3RXFP1
SCHEMBL439933 0.72 MAPT (0.51) MAPTSMN1; SMN2HRH4HRH3RXFP1
SCHEMBL405648 0.71 HRH4 (0.53) MAPTSMN1; SMN2HRH4HRH3RXFP1
SCHEMBL10847842 0.70 RXFP1 (0.65) MAPTSMN1; SMN2RXFP1KMT2AMEN1
SCHEMBL10848030 0.68 TP53 (0.59) MAPTSMN1; SMN2HRH4HRH3RXFP1
SCHEMBL405927 0.68 HRH4 (0.67) MAPTSMN1; SMN2HRH4HRH3KMT2A

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-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

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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MAPT 2336/4885SMN1; SMN2 4774/4885HRH4 1/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MAPT 2336/4885SMN1; SMN2 4774/4885HRH4 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.