SCHEMBL2864660

SCHEMBL2864660

CCCN(CCC)c1c(SC)nc2c(-c3ccc(OC)cc3)cccn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.44
QPCT Q16769 1/20 0.39
QPCTL Q9NXS2 1/20 0.39
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HSD17B10 Q99714 3/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
TP53 P04637 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 2/20 0.35
GAA P10253 1/20 0.35
DRD2 P14416 1/20 0.35
ABL1 P00519 1/20 0.35

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
SCHEMBL2868081 0.85 CRHR1 (0.45) CRHR1
SCHEMBL2866382 0.85 CRHR1 (0.48) CRHR1
SCHEMBL2871793 0.85 CRHR1 (0.45) CRHR1
SCHEMBL2871766 0.84 CRHR1 (0.43) CRHR1
SCHEMBL2868105 0.82 CRHR1 (0.37) CRHR1
SCHEMBL2862141 0.81 CRHR1 (0.42) CRHR1
SCHEMBL2865976 0.80 CRHR1 (0.38) CRHR1
SCHEMBL2864910 0.80 CRHR1 (0.40) CRHR1KMT2AMEN1
SCHEMBL2871919 0.80 BRD9 (0.35) CRHR1
SCHEMBL2868132 0.80 PDE10A (0.37) 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 1/4885QPCT 4317/4885QPCTL 3728/4885
US-20090181985-A1 IMIDAZO[1,2-b]PYRIDAZINE COMPOUND CRHR1, CRHR2, CRH CRHR1 1/4885QPCT 4317/4885QPCTL 3728/4885
US-20040082781-A1 Bicyclic nitrogenous fused-ring compound CRHR1, CRH, CRHR2 CRHR1 1/4885QPCT 3642/4885QPCTL 2846/4885

“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.