SCHEMBL405022

SCHEMBL405022

COc1ccc(Cn2c(C)nc3cnc4ccc(Cl)cc4c32)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 5/20 0.49
PIK3CA P42336 4/20 0.42
BRD4 O60885 1/20 0.41
PIK3CD O00329 2/20 0.40
MTOR P42345 2/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA6 Q16445 1/20 0.40
DCTPP1 Q9H773 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
FGFR3 P22607 1/20 0.38
KDR P35968 1/20 0.38
AKR1B10 O60218 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 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
SCHEMBL405406 0.81 GAA (0.42) LRRK2GABRA1GABRG2GABRB3GABRA5
SCHEMBL405979 0.75 ADRA1D (0.41) AKR1B10KDM4E
SCHEMBL31715054 0.72 APLNR (0.42) DCTPP1TDP1KDM4EMAPK1
SCHEMBL405952 0.71 DHFR (0.49) TDP1FGFR3KDRMAPK1
SCHEMBL1846677 0.71 DHFR (0.49) TDP1FGFR3KDRMAPK1
SCHEMBL30758235 0.70 DCTPP1 (0.56) BRD4PIK3CDMTORGABRA1GABRG2
SCHEMBL6299201 0.70 HDAC3 (0.38) DCTPP1KDM4E
SCHEMBL15552553 0.69 DCTPP1 (0.57) PIK3CABRD4PIK3CDDCTPP1TDP1
SCHEMBL13724197 0.68 APLNR (0.50) TDP1KDM4EMAPK1
SCHEMBL22445198 0.67 AGTR1 (0.44) BRD4

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 LRRK2 917/4885PIK3CA 3950/4885BRD4 205/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 LRRK2 917/4885PIK3CA 3950/4885BRD4 205/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 LRRK2 917/4885PIK3CA 3950/4885BRD4 205/4885

“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.