SCHEMBL405170

SCHEMBL405170

Clc1ccc2c(c1)nc(Cl)c1nnnn12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CUL4A Q13619 1/20 0.77
MAPT P10636 5/20 0.60
KDM4E B2RXH2 4/20 0.60
ALDH1A1 P00352 3/20 0.60
HTT P42858 2/20 0.60
RAB9A P51151 2/20 0.60
MAPK1 P28482 1/20 0.60
CHEK1 O14757 1/20 0.58
LIMK1 P53667 1/20 0.58
MAPK14 Q16539 1/20 0.58
CLK4 Q9HAZ1 1/20 0.58
TNKS O95271 2/20 0.47
HPGD P15428 2/20 0.47
RXFP1 Q9HBX9 1/20 0.43
GAA P10253 1/20 0.42
PDE2A O00408 1/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
HRH4 Q9H3N8 1/20 0.38

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
SCHEMBL440118 0.87 CUL4A (1.00) CUL4AMAPTKDM4EALDH1A1HTT
SCHEMBL11877975 0.86 CUL4A (0.57) CUL4AMAPTKDM4EALDH1A1HTT
SCHEMBL7623370 0.80 CUL4A (0.67) CUL4AMAPTKDM4EALDH1A1HTT
SCHEMBL11878201 0.80 CUL4A (0.67) CUL4AMAPTKDM4EALDH1A1HTT
SCHEMBL11870814 0.79 CUL4A (0.50) CUL4AMAPTKDM4EALDH1A1HTT
SCHEMBL11822565 0.78 CUL4A (0.63) CUL4AMAPTKDM4EALDH1A1HTT
SCHEMBL404182 0.76 HRH4 (0.66) CUL4AMAPTKDM4EALDH1A1HTT
SCHEMBL405688 0.76 MAPT (0.57) CUL4AMAPTKDM4EALDH1A1HTT
SCHEMBL31040724 0.75 CUL4A (0.73) CUL4AMAPTKDM4EALDH1A1HTT
SCHEMBL15622732 0.73 CHEK1 (1.00) CUL4AMAPTKDM4EALDH1A1HTT

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 12 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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
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
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 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
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
WO-2010030785-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 WO 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 (3 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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 CUL4A 3672/4885MAPT 2336/4885KDM4E 1897/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 CUL4A 3672/4885MAPT 2336/4885KDM4E 1897/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 CUL4A 3672/4885MAPT 2336/4885KDM4E 1897/4885

“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.