SCHEMBL3339934

SCHEMBL3339934

Cc1csc2ncnc(N3CCN(c4ccccn4)CC3)c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
TSHR P16473 4/20 0.53
MAPT P10636 5/20 0.51
HTT P42858 3/20 0.51
KDM4E B2RXH2 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
POLB P06746 2/20 0.50
LMNA P02545 5/20 0.49
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NOD2 Q9HC29 1/20 0.49
MAPK1 P28482 2/20 0.48
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
ADRB3 P13945 1/20 0.48
ACHE P22303 1/20 0.47
BACE1 P56817 1/20 0.47
RAB9A P51151 1/20 0.47
HPGD P15428 2/20 0.46

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
SCHEMBL3339972 0.83 MAPT (0.65) MEN1KMT2ATSHRMAPTHTT
SCHEMBL1904253 0.80 KMT2A (0.59) MEN1KMT2ATSHRMAPTHTT
SCHEMBL1902432 0.78 MAPT (0.62) MEN1KMT2ATSHRMAPTHTT
SCHEMBL3345249 0.76 KMT2A (0.59) MEN1KMT2AMAPTHTTKDM4E
SCHEMBL1900504 0.76 POLB (0.73) MEN1KMT2ATSHRMAPTHTT
SCHEMBL1899118 0.76 KMT2A (0.53) MEN1KMT2ATSHRMAPTHTT
SCHEMBL14938246 0.76 DRD2 (0.54) MEN1KMT2ATSHRMAPTHTT
SCHEMBL12789888 0.75 MEN1 (0.65) MEN1KMT2ATSHRMAPTHTT
SCHEMBL3340162 0.75 HTT (0.72) MEN1KMT2ATSHRMAPTHTT
SCHEMBL12789904 0.75 MEN1 (0.73) MEN1KMT2ATSHRMAPTHTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 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 (1 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-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH2, HRH3 MEN1 2315/4885KMT2A 578/4885TSHR 336/4885

“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.