SCHEMBL1904097

SCHEMBL1904097

c1ccc(CCNc2ncnc3sccc23)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.70
SMN1; SMN2 Q16637 5/20 0.70
LMNA P02545 4/20 0.67
RAB9A P51151 4/20 0.62
NPC1 O15118 3/20 0.62
GALR3 O60755 1/20 0.62
NR2F2 P24468 1/20 0.62
MAPK1 P28482 2/20 0.61
EGFR P00533 1/20 0.61
APP P05067 1/20 0.61
TSHR P16473 2/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
SLC29A1 Q99808 1/20 0.56
TNF P01375 2/20 0.53
NOD1 Q9Y239 2/20 0.53
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
PKM P14618 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL8506192 0.92 HTT (0.63) HTTSMN1; SMN2LMNARAB9ANPC1
SCHEMBL1901540 0.91 HTT (0.62) HTTSMN1; SMN2LMNARAB9ANPC1
SCHEMBL3966396 0.86 HTT (0.68) HTTSMN1; SMN2LMNARAB9ANPC1
SCHEMBL8505626 0.86 HTT (0.68) HTTSMN1; SMN2LMNARAB9ANPC1
SCHEMBL8516166 0.85 HTT (0.77) HTTSMN1; SMN2LMNARAB9ANPC1
SCHEMBL8516267 0.84 HTT (0.61) HTTSMN1; SMN2LMNARAB9ANPC1
SCHEMBL8515901 0.84 HTT (0.65) HTTSMN1; SMN2LMNARAB9ANPC1
SCHEMBL8490047 0.83 HTT (0.61) HTTSMN1; SMN2LMNARAB9ANPC1
SCHEMBL8505732 0.83 HTT (0.63) HTTSMN1; SMN2LMNARAB9ANPC1
SCHEMBL13242726 0.83 HTT (0.58) HTTSMN1; SMN2LMNARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use SDS BIOTECH K.K. (JP) 2012-05-31 US disclosed
EP-2455371-A1 4-(3-BUTYNYL)AMINOPYRIMIDINE DERIVATIVES AS PEST CONTROL AGENTS FOR AGRICULTURAL AND HORTICULTURAL USE SDS Biotech K. K. (JP) 2012-05-23 EP disclosed
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
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 (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-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 HTT 2572/4885SMN1; SMN2 4679/4885LMNA 4659/4885
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH2, HRH3 HTT 383/4885SMN1; SMN2 4740/4885LMNA 4824/4885

“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.