SCHEMBL3339972

SCHEMBL3339972

Cc1csc2ncnc(N3CCN(c4ccccc4)CC3)c12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.65
LMNA P02545 4/20 0.65
TSHR P16473 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
HPGD P15428 1/20 0.65
NPSR1 Q6W5P4 5/20 0.57
HTT P42858 4/20 0.57
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 3/20 0.57
MAPK1 P28482 2/20 0.57
TP53 P04637 1/20 0.54
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
POLB P06746 2/20 0.53
ADRB2 P07550 1/20 0.53
ADRB1 P08588 1/20 0.53
ADRB3 P13945 1/20 0.53
RXFP1 Q9HBX9 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50

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
SCHEMBL1899118 0.87 KMT2A (0.53) MAPTLMNATSHRSMN1; SMN2HPGD
SCHEMBL3340471 0.84 MAPT (0.68) MAPTLMNATSHRSMN1; SMN2HPGD
SCHEMBL1904253 0.83 KMT2A (0.59) MAPTLMNATSHRSMN1; SMN2HPGD
SCHEMBL3339934 0.83 MEN1 (0.57) MAPTLMNATSHRSMN1; SMN2HPGD
SCHEMBL3342419 0.83 MAPT (0.52) MAPTLMNATSHRSMN1; SMN2HPGD
SCHEMBL3338765 0.82 POLB (0.71) MAPTLMNATSHRSMN1; SMN2HPGD
SCHEMBL1900504 0.82 POLB (0.73) MAPTLMNATSHRSMN1; SMN2HPGD
SCHEMBL3345249 0.82 KMT2A (0.59) MAPTLMNANPSR1HTTALDH1A1
SCHEMBL3342412 0.82 ACHE (0.51) MAPTLMNATSHRSMN1; SMN2HPGD
SCHEMBL1901285 0.81 SMN1; SMN2 (0.51) MAPTLMNATSHRSMN1; SMN2HPGD

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 MAPT 2488/4885LMNA 4824/4885TSHR 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.