Sugi Predict

Sugi Predict / Compounds / SCHEMBL2870618

SCHEMBL2870618

SCHEMBL2870618

COc1ccc(-c2ccnn3c(C(=O)O)c(SC)nc23)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 1/20 0.41
▸ KDM4C Q9H3R0 1/20 0.41
▸ KDM5B Q9UGL1 1/20 0.41
▸ GSK3B P49841 1/20 0.35
▸ CRHR1 P34998 3/20 0.35
▸ POLB P06746 3/20 0.35
▸ GPBAR1 Q8TDU6 1/20 0.35
▸ TEK Q02763 1/20 0.35
▸ PRKAB2 O43741 1/20 0.34
▸ PRKAG1 P54619 1/20 0.34
▸ PRKAA2 P54646 1/20 0.34
▸ PRKAA1 Q13131 1/20 0.34
▸ PRKAG3 Q9UGI9 1/20 0.34
▸ PRKAG2 Q9UGJ0 1/20 0.34
▸ PRKAB1 Q9Y478 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL2862445 0.88 HPGD (0.39) CRHR1POLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL2871642 0.82 CRHR1 (0.37) CRHR1POLBTEK
SCHEMBL2864073 0.77 CRHR1 (0.45) CRHR1
SCHEMBL2867968 0.71 ALPL (0.36) KDM5AKDM4CKDM5BCRHR1KDM4E
SCHEMBL18721169 0.69 CYP1A2 (0.44) KDM5AKDM4CKDM5BGSK3BCRHR1
SCHEMBL2871800 0.68 CRHR1 (0.51) CRHR1
SCHEMBL2868081 0.64 CRHR1 (0.45) CRHR1
SCHEMBL2868179 0.64 CRHR1 (0.36) CRHR1HTR6
SCHEMBL12326180 0.64 CA1 (0.50) KDM4EALDH1A1HPGDMAPT
SCHEMBL17454033 0.63 SMN1; SMN2 (0.55) KDM5AKDM4CKDM5BPOLBSMN1; SMN2

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 KDM5A 3040/4885KDM4C 2275/4885KDM5B 3179/4885
US-20090181985-A1 IMIDAZO[1,2-b]PYRIDAZINE COMPOUND CRHR1, CRHR2, CRH KDM5A 3040/4885KDM4C 2275/4885KDM5B 3179/4885
US-20040082781-A1 Bicyclic nitrogenous fused-ring compound CRHR1, CRH, CRHR2 KDM5A 3670/4885KDM4C 2238/4885KDM5B 3483/4885

“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.