Sugi Predict

Sugi Predict / Compounds / SCHEMBL2872037

SCHEMBL2872037

SCHEMBL2872037

COc1ccc(-c2nccn3c(N(CC(C)O)CC4CC4)c(SC)nc23)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 12/20 0.39
▸ CHRNB2 P17787 2/20 0.33
▸ CHRNB4 P30926 2/20 0.33
▸ CHRNA3 P32297 2/20 0.33
▸ CHRNA4 P43681 2/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ TNK2 Q07912 1/20 0.32
▸ CDC7 O00311 2/20 0.31
▸ DBF4 Q9UBU7 2/20 0.31
▸ CCNT1 O60563 1/20 0.31
▸ CSNK2A2 P19784 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ CSNK1A1 P48729 1/20 0.31
▸ CSNK1D P48730 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ CSNK2B P67870 1/20 0.31
▸ CSNK2A1 P68400 1/20 0.31

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
SCHEMBL2868503 0.94 CRHR1 (0.40) CRHR1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2871658 0.92 CRHR1 (0.43) CRHR1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2869284 0.91 CRHR1 (0.33) CRHR1TNK2
SCHEMBL2866070 0.90 CRHR1 (0.42) CRHR1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2869445 0.89 CRHR1 (0.40) CRHR1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2867858 0.88 CRHR1 (0.44) CRHR1
SCHEMBL2869406 0.86 CRHR1 (0.39) CRHR1
SCHEMBL2862329 0.86 CRHR1 (0.39) CRHR1TNK2
SCHEMBL2864677 0.83 CRHR1 (0.43) CRHR1TNK2
SCHEMBL2864695 0.83 CRHR1 (0.42) CRHR1TNK2

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 1/4885CHRNB2 262/4885CHRNB4 117/4885
US-20090181985-A1 IMIDAZO[1,2-b]PYRIDAZINE COMPOUND CRHR1, CRHR2, CRH CRHR1 1/4885CHRNB2 262/4885CHRNB4 117/4885
US-20040082781-A1 Bicyclic nitrogenous fused-ring compound CRHR1, CRH, CRHR2 CRHR1 1/4885CHRNB2 295/4885CHRNB4 162/4885

“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.