SCHEMBL405889

SCHEMBL405889

O=c1[nH]c2cc(Br)ccc2c2conc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.44
PTGES O14684 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PIM3 Q86V86 1/20 0.37
CDK5 Q00535 3/20 0.37
GSK3A P49840 3/20 0.37
GSK3B P49841 3/20 0.37
CDK9 P50750 2/20 0.37
CAMK2A Q9UQM7 2/20 0.37
JAK2 O60674 2/20 0.37
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
PAK4 O96013 1/20 0.37
ABL1 P00519 1/20 0.37
NTRK1 P04629 1/20 0.37

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
SCHEMBL405328 0.88 PIM1 (0.44) PTGESPIM3CDK5GSK3AGSK3B
SCHEMBL406823 0.82 PARP1 (0.57) PTGESCHEK1TP53PARP1
SCHEMBL19211570 0.78 KDM4E (0.49) CYP3A4PIM3CDK5GSK3BCDK9
SCHEMBL17499976 0.78 PARP1 (0.56) CHEK1TP53PARP1
SCHEMBL30577489 0.78 PARP1 (0.56) CHEK1TP53PARP1
SCHEMBL10153752 0.73 PARP1 (0.56) METAP2PTGESCYP3A4CYP2C9CYP2C19
SCHEMBL406211 0.73 ADORA3 (0.50) PTGESGSK3AGSK3BCHEK1MAP4K4
SCHEMBL31386671 0.72 METAP2 (0.42) METAP2PTGESCYP3A4CYP2C9CYP2C19
SCHEMBL31552859 0.71 PTGES (0.45) METAP2PTGESCYP3A4CYP2C9CYP2C19
SCHEMBL20227729 0.70 PARP1 (0.62) METAP2PTGESCYP3A4CYP2C9CYP2C19

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-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
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 METAP2 1332/4885PTGES 734/4885CYP3A4 2376/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 METAP2 1332/4885PTGES 734/4885CYP3A4 2376/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 METAP2 1332/4885PTGES 734/4885CYP3A4 2376/4885

“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.