SCHEMBL2864467

SCHEMBL2864467

CSc1nc2c(Cl)nccn2c1NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.42
CYP17A1 P05093 2/20 0.35
BRD4 O60885 1/20 0.35
CSNK1E P49674 1/20 0.33
MAPKAPK2 P49137 3/20 0.32
METAP1 P53582 1/20 0.32
POLB P06746 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2B P29275 1/20 0.32
LCK P06239 2/20 0.31
KMT2A Q03164 1/20 0.31
JAK3 P52333 1/20 0.31
BTK Q06187 1/20 0.31
STK17B O94768 1/20 0.31
STK17A Q9UEE5 1/20 0.31
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30
MAPK14 Q16539 1/20 0.30

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
SCHEMBL2866010 0.83 CSNK1E (0.39) CSNK1EPOLBKMT2A
SCHEMBL2868526 0.72 HTR6 (0.44) BRD4LCKGSK3BDYRK1AMAPK14
SCHEMBL2865146 0.71 CSNK1E (0.41) CSNK1EKMT2A
SCHEMBL1179959 0.69 CYP17A1 (0.48) ATRCYP17A1BRD4MAPKAPK2MAPK14
SCHEMBL2866076 0.68 ALDH1A1 (0.43) POLBKMT2A
SCHEMBL29435513 0.66 ATR (0.56) ATRCYP17A1MAPKAPK2METAP1POLB
SCHEMBL29439709 0.66 ATR (0.56) ATRMETAP1POLBKMT2A
SCHEMBL1699207 0.66 ATR (0.56) ATRMETAP1POLBKMT2A
SCHEMBL30780288 0.65 GSK3B (0.44) ATRBRD4MAPKAPK2ADORA3ADORA2B
SCHEMBL104530 0.64 GSK3B (0.39) ATRCYP17A1MAPKAPK2LCKKMT2A

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 ATR 3467/4885CYP17A1 325/4885BRD4 433/4885
US-20090181985-A1 IMIDAZO[1,2-b]PYRIDAZINE COMPOUND CRHR1, CRHR2, CRH ATR 3467/4885CYP17A1 325/4885BRD4 433/4885
US-20040082781-A1 Bicyclic nitrogenous fused-ring compound CRHR1, CRH, CRHR2 ATR 3779/4885CYP17A1 333/4885BRD4 406/4885

“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.