SCHEMBL2868522

SCHEMBL2868522

COc1cc(C(F)(F)F)ccc1-c1nccn2c(N(CC3CC3)CC3CC3)c(SC)nc12

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.38
BTK Q06187 5/20 0.37
SCN9A Q15858 10/20 0.37
TNK2 Q07912 1/20 0.36
CYP3A4 P08684 1/20 0.35
PDE2A O00408 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
SCHEMBL2869019 0.94 CRHR1 (0.40) CRHR1BTKSCN9ATNK2CYP3A4
SCHEMBL2864695 0.88 CRHR1 (0.42) CRHR1TNK2
SCHEMBL2871917 0.88 CRHR1 (0.43) CRHR1TNK2
SCHEMBL2871947 0.87 CRHR1 (0.46) CRHR1SCN9A
SCHEMBL2869055 0.87 MC4R (0.37) CRHR1TNK2
SCHEMBL2872474 0.85 CRHR1 (0.38) CRHR1TNK2
SCHEMBL2864092 0.85 KDM1A (0.37) SCN9A
SCHEMBL2871909 0.82 CRHR1 (0.49) CRHR1
SCHEMBL2864938 0.82 CRHR1 (0.43) CRHR1
SCHEMBL2872205 0.82 CRHR1 (0.53) 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 1/4885BTK 3111/4885SCN9A 3443/4885
US-20090181985-A1 IMIDAZO[1,2-b]PYRIDAZINE COMPOUND CRHR1, CRHR2, CRH CRHR1 1/4885BTK 3111/4885SCN9A 3443/4885
US-20040082781-A1 Bicyclic nitrogenous fused-ring compound CRHR1, CRH, CRHR2 CRHR1 1/4885BTK 3790/4885SCN9A 1579/4885

“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.