SCHEMBL406465

SCHEMBL406465

Clc1ccc2nc(Cl)c3ncnn3c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CUL4A Q13619 1/20 0.59
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 4/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
MAP4K4 O95819 1/20 0.41
ABL1 P00519 1/20 0.41
NTRK1 P04629 1/20 0.41
LCK P06239 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41
MET P08581 1/20 0.41
PDGFRB P09619 1/20 0.41

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
SCHEMBL406469 0.76 HRH4 (0.61) ALDH1A1SMN1; SMN2RAB9AMAPTGAA
SCHEMBL12224727 0.76 ALDH1A1 (0.44) CUL4AALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL440118 0.74 CUL4A (1.00) CUL4AALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL406515 0.73 CUL4A (0.57) CUL4AALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL8102963 0.71 CUL4A (0.51) CUL4AALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL405970 0.71 CSNK1A1 (0.51) ALDH1A1SMN1; SMN2KDM4ERAB9AMAPT
SCHEMBL8118931 0.69 CUL4A (0.52) CUL4ACDK7CDK9AURKB
SCHEMBL406451 0.68 CHEK1 (0.58) CHEK1AURKADAPK3JAK2MAP4K4
SCHEMBL405269 0.68 HRH4 (0.60) CUL4AALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL10846312 0.67 CUL4A (0.54) CUL4A

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 6 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-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-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

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 3672/4885ALDH1A1 1909/4885SMN1; SMN2 4774/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 CUL4A 3672/4885ALDH1A1 1909/4885SMN1; SMN2 4774/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 CUL4A 3672/4885ALDH1A1 1909/4885SMN1; SMN2 4774/4885

“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.