SCHEMBL406214

SCHEMBL406214

CC(C)c1nc2c3cc(Cl)ccc3[nH]c(=O)n2n1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 6/20 0.81
ADORA3 P0DMS8 1/20 0.57
CHEK1 O14757 1/20 0.55
AURKA O14965 1/20 0.55
DAPK3 O43293 1/20 0.55
JAK2 O60674 1/20 0.55
MAP4K4 O95819 1/20 0.55
ABL1 P00519 1/20 0.55
NTRK1 P04629 1/20 0.55
LCK P06239 1/20 0.55
CSF1R P07333 1/20 0.55
RET P07949 1/20 0.55
MET P08581 1/20 0.55
PDGFRB P09619 1/20 0.55
PIM1 P11309 1/20 0.55
FGFR1 P11362 1/20 0.55
PDGFRA P16234 1/20 0.55
PRKACA P17612 1/20 0.55
FLT1 P17948 1/20 0.55
LTK P29376 1/20 0.55

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
SCHEMBL404548 0.83 HAVCR2 (0.80) HAVCR2ADORA3CHEK1AURKADAPK3
SCHEMBL404554 0.80 ADORA3 (0.57) HAVCR2ADORA3CHEK1AURKADAPK3
SCHEMBL31167517 0.77 HAVCR2 (0.73) HAVCR2JAK2NTRK1LCKCSF1R
SCHEMBL11079692 0.77 ADORA3 (0.57) HAVCR2ADORA3CHEK1AURKADAPK3
SCHEMBL2824269 0.77 ADORA3 (0.54) HAVCR2ADORA3CHEK1AURKADAPK3
SCHEMBL3564388 0.76 GABRP (0.72) ADORA3
SCHEMBL2827323 0.76 ADORA3 (0.56) HAVCR2ADORA3CHEK1AURKADAPK3
SCHEMBL10862685 0.75 ADORA3 (0.67) ADORA3CHEK1AURKADAPK3JAK2
SCHEMBL10715388 0.74 ADORA3 (0.62) ADORA3CHEK1AURKADAPK3JAK2
SCHEMBL3567661 0.74 ADORA3 (0.62) ADORA3CHEK1AURKADAPK3JAK2

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
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-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 HAVCR2 84/4885ADORA3 277/4885CHEK1 2106/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HAVCR2 84/4885ADORA3 277/4885CHEK1 2106/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HAVCR2 84/4885ADORA3 277/4885CHEK1 2106/4885

“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.