SCHEMBL440157

SCHEMBL440157

Cc1nc2ccccc2c(N)c1N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
HSD17B10 Q99714 4/20 0.64
HPGD P15428 4/20 0.64
CYP1A2 P05177 3/20 0.64
NUDT1 P36639 2/20 0.64
KDM4E B2RXH2 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
GLA P06280 2/20 0.64
CASP1 P29466 2/20 0.64
CASP7 P55210 2/20 0.64
ACHE P22303 2/20 0.64
CHRM2 P08172 1/20 0.64
ADRA2A P08913 1/20 0.64
ADORA3 P0DMS8 1/20 0.64
CHRM1 P11229 1/20 0.64
NQO2 P16083 1/20 0.64
MAOA P21397 1/20 0.64
DRD1 P21728 1/20 0.64
SLC6A2 P23975 1/20 0.64
ADRA1A P35348 1/20 0.64

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
SCHEMBL27296318 0.87 ALDH1A1 (0.64) ALDH1A1HSD17B10HPGDCYP1A2NUDT1
SCHEMBL30025532 0.87 ALDH1A1 (0.64) ALDH1A1HSD17B10HPGDCYP1A2NUDT1
SCHEMBL28042218 0.85 ALDH1A1 (0.62) ALDH1A1HSD17B10HPGDCYP1A2NUDT1
SCHEMBL28193917 0.82 ALDH1A1 (0.58) ALDH1A1HSD17B10HPGDCYP1A2NUDT1
SCHEMBL28220555 0.82 ALDH1A1 (0.58) ALDH1A1HSD17B10HPGDCYP1A2NUDT1
SCHEMBL8061027 0.82 HSD17B10 (0.58) ALDH1A1HSD17B10HPGDCYP1A2NUDT1
SCHEMBL2719248 0.82 HSD17B10 (0.58) ALDH1A1HSD17B10HPGDCYP1A2NUDT1
SCHEMBL27374101 0.82 HSD17B10 (0.62) ALDH1A1HSD17B10HPGDCYP1A2NUDT1
SCHEMBL6530612 0.80 HSD17B10 (0.56) ALDH1A1HSD17B10HPGDCYP1A2NUDT1
SCHEMBL31109173 0.80 HSD17B10 (0.56) ALDH1A1HSD17B10HPGDCYP1A2NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
WO-2011112731-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 WO disclosed
EP-2324029-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2011-05-25 EP disclosed
WO-2011044157-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS BIOGEN IDEC MA INC. (US) 2011-04-14 WO disclosed
WO-2010030785-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 WO disclosed
CN-1045783-A Diaza  class anti-allergy medicament PFIZER (US) 1990-10-03 CN 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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 ALDH1A1 1909/4885HSD17B10 3443/4885HPGD 252/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 ALDH1A1 1909/4885HSD17B10 3443/4885HPGD 252/4885

“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.