SCHEMBL1901285

SCHEMBL1901285

Cc1csc2ncnc(N3CCN(c4ccc(Cl)c(Cl)c4)CC3)c12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
RAB9A P51151 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 6/20 0.47
MAPK1 P28482 3/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
NOD2 Q9HC29 1/20 0.45
LMNA P02545 3/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42

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 0.86 KMT2A (0.53) SMN1; SMN2RAB9APOLBMAPTMAPK1
SCHEMBL1902859 0.81 ACHE (0.48) SMN1; SMN2POLBMAPTMAPK1MEN1
SCHEMBL3339972 0.81 MAPT (0.65) SMN1; SMN2L3MBTL1POLBMAPTMAPK1
SCHEMBL1904253 0.81 KMT2A (0.59) SMN1; SMN2RAB9AL3MBTL1POLBMAPT
SCHEMBL3340471 0.79 MAPT (0.68) SMN1; SMN2POLBMAPTMAPK1MEN1
SCHEMBL3342419 0.78 MAPT (0.52) SMN1; SMN2RAB9APOLBMAPTMAPK1
SCHEMBL3338765 0.77 POLB (0.71) SMN1; SMN2POLBMAPTMAPK1MEN1
SCHEMBL3342412 0.77 ACHE (0.51) SMN1; SMN2RAB9APOLBMAPTMAPK1
SCHEMBL12204352 0.75 POLB (0.65) SMN1; SMN2RAB9AL3MBTL1POLBMAPT
SCHEMBL14938246 0.74 DRD2 (0.54) SMN1; SMN2POLBMAPTMAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2320904-A2 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2011-05-18 EP disclosed
WO-2010030757-A2 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 WO disclosed
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 US disclosed
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 US disclosed
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 SMN1; SMN2 4740/4885RAB9A 2578/4885L3MBTL1 3657/4885

“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.