SCHEMBL2869418

SCHEMBL2869418

CCCN(CCC)c1c(CC)nc2c(-c3ccc(Cl)cc3)nc(Br)cn12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.42
TSPO P30536 4/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
BLM P54132 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NR1I2 O75469 1/20 0.38
ABCB11 O95342 1/20 0.38
ALB P02768 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA1 P30542 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
OPRK1 P41145 1/20 0.38
PDE4D Q08499 1/20 0.38
KCNH2 Q12809 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
SCHEMBL2869447 0.85 CRHR1 (0.49) CRHR1
SCHEMBL2873889 0.81 CRHR1 (0.41) CRHR1TSPOGMNNLMNAPOLB
SCHEMBL2868064 0.78 CRHR1 (0.45) CRHR1
SCHEMBL2871717 0.73 CRHR1 (0.51) CRHR1
SCHEMBL2869295 0.72 CRHR1 (0.48) CRHR1
Hydrochloric Acid SCHEMBL2862108 0.72 CRHR1 (0.49) CRHR1
SCHEMBL2869367 0.71 CRHR1 (0.43) CRHR1LMNAPOLBCYP3A4NPSR1
SCHEMBL2864227 0.70 CRHR1 (0.48) CRHR1
SCHEMBL2868182 0.68 CRHR1 (0.50) CRHR1
Hydrochloric Acid SCHEMBL2871892 0.68 CRHR1 (0.49) CRHR1

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-7772249-B2 Imidazo[1,2-b]pyridazine compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-20090181985-A1 IMIDAZO[1,2-b]PYRIDAZINE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-07-16 US disclosed
US-20060211696-A1 IMIDAZO[1,2-b]PYRIDAZINE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-09-21 US disclosed
US-7078405-B2 Imidazo[1,2-b]pyridazine compound EISAI CO., LTD. (JP) 2006-07-18 US disclosed
US-20040082781-A1 Bicyclic nitrogenous fused-ring compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-04-29 US disclosed
EP-1364952-A1 BICYCLIC NITROGENOUS FUSED-RING COMPOUND Eisai Co., Ltd. (JP) 2003-11-26 EP 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-20060211696-A1 IMIDAZO[1,2-b]PYRIDAZINE COMPOUND CRHR1, CRHR2, CRH CRHR1 1/4885TSPO 4273/4885GMNN 3650/4885
US-20090181985-A1 IMIDAZO[1,2-b]PYRIDAZINE COMPOUND CRHR1, CRHR2, CRH CRHR1 1/4885TSPO 4273/4885GMNN 3650/4885
US-20040082781-A1 Bicyclic nitrogenous fused-ring compound CRHR1, CRH, CRHR2 CRHR1 1/4885TSPO 4327/4885GMNN 3132/4885

“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.