Sugi Predict

Sugi Predict / Compounds / SCHEMBL404554

SCHEMBL404554

SCHEMBL404554

CCc1nc2c3cc(Cl)ccc3[nH]c(=O)n2n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.57
▸ HAVCR2 Q8TDQ0 3/20 0.56
▸ JAK2 O60674 2/20 0.55
▸ NTRK1 P04629 2/20 0.55
▸ LCK P06239 2/20 0.55
▸ CSF1R P07333 2/20 0.55
▸ RET P07949 2/20 0.55
▸ MET P08581 2/20 0.55
▸ PDGFRB P09619 2/20 0.55
▸ PIM1 P11309 2/20 0.55
▸ FGFR1 P11362 2/20 0.55
▸ PRKACA P17612 2/20 0.55
▸ FLT3 P36888 2/20 0.55
▸ MAPK8 P45983 2/20 0.55
▸ CDK8 P49336 2/20 0.55
▸ GSK3A P49840 2/20 0.55
▸ GSK3B P49841 2/20 0.55
▸ CDK7 P50613 2/20 0.55
▸ CDK9 P50750 2/20 0.55
▸ RPS6KA3 P51812 2/20 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
SCHEMBL11079692 0.87 ADORA3 (0.57) ADORA3HAVCR2JAK2NTRK1LCK
SCHEMBL2824269 0.86 ADORA3 (0.54) ADORA3HAVCR2JAK2NTRK1LCK
SCHEMBL405667 0.83 ADORA3 (0.55) ADORA3HAVCR2JAK2NTRK1LCK
SCHEMBL404548 0.83 HAVCR2 (0.80) ADORA3HAVCR2JAK2NTRK1LCK
SCHEMBL406214 0.80 HAVCR2 (0.81) ADORA3HAVCR2JAK2NTRK1LCK
SCHEMBL2827323 0.79 ADORA3 (0.56) ADORA3HAVCR2JAK2NTRK1LCK
SCHEMBL11090747 0.78 ADORA3 (0.67) ADORA3HAVCR2JAK2NTRK1LCK
SCHEMBL11088253 0.78 JAK2 (0.53) ADORA3HAVCR2JAK2NTRK1LCK
SCHEMBL10924909 0.77 JAK2 (0.53) ADORA3HAVCR2JAK2NTRK1LCK
SCHEMBL11088234 0.77 HAVCR2 (0.67) ADORA3HAVCR2

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 ADORA3 277/4885HAVCR2 84/4885JAK2 1396/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 ADORA3 277/4885HAVCR2 84/4885JAK2 1396/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 ADORA3 277/4885HAVCR2 84/4885JAK2 1396/4885

“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.