SCHEMBL405328

SCHEMBL405328

O=c1[nH]c2ccc(Br)cc2c2conc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.44
CHEK1 O14757 1/20 0.44
AURKA O14965 1/20 0.44
DAPK3 O43293 1/20 0.44
JAK2 O60674 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
PAK4 O96013 1/20 0.44
ABL1 P00519 1/20 0.44
NTRK1 P04629 1/20 0.44
CSF1R P07333 1/20 0.44
RET P07949 1/20 0.44
MET P08581 1/20 0.44
PDGFRB P09619 1/20 0.44
FGFR1 P11362 1/20 0.44
PDGFRA P16234 1/20 0.44
PRKACA P17612 1/20 0.44
FLT1 P17948 1/20 0.44
LTK P29376 1/20 0.44
GRK5 P34947 1/20 0.44

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
SCHEMBL405889 0.88 METAP2 (0.44) PIM1CHEK1AURKADAPK3JAK2
SCHEMBL406211 0.82 ADORA3 (0.50) PIM1CHEK1MAP4K4CSF1RFLT3
SCHEMBL406788 0.82 CHEK1 (0.50) CHEK1HPGDLMNAMAPK1ALDH1A1
SCHEMBL12246129 0.78 KDM4E (0.48) PIM1CHUKKDM4EMEN1KMT2A
SCHEMBL30577489 0.78 PARP1 (0.56) CHEK1HPGDLMNAALDH1A1HSD17B10
SCHEMBL17499976 0.78 PARP1 (0.56) CHEK1HPGDLMNAALDH1A1HSD17B10
SCHEMBL406823 0.73 PARP1 (0.57) CHEK1LMNAPTGES
SCHEMBL7852218 0.70 PARP1 (0.64) PIM1CHEK1AURKADAPK3JAK2
SCHEMBL30466766 0.70 PARP1 (0.64) PIM1CHEK1AURKADAPK3JAK2
SCHEMBL29366993 0.70 CHUK (0.64) PIM1CHEK1AURKADAPK3JAK2

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 PIM1 4716/4885CHEK1 2106/4885AURKA 2527/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 PIM1 4716/4885CHEK1 2106/4885AURKA 2527/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 PIM1 4716/4885CHEK1 2106/4885AURKA 2527/4885

“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.