SCHEMBL2868554

SCHEMBL2868554

O=[N+]([O-])c1cnc2cnccn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 1/20 0.49
ALDH1A1 P00352 4/20 0.35
LMNA P02545 4/20 0.35
MAPK1 P28482 2/20 0.35
THRB P10828 2/20 0.35
TSHR P16473 1/20 0.35
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
CYP19A1 P11511 3/20 0.31
CHRM1 P11229 1/20 0.31
PARP1 P09874 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
SCHEMBL29018907 0.75 CYP1A2 (0.57) CYP1A2CYP2C9ALDH1A1LMNAMEN1
SCHEMBL1203406 0.68 NPC1 (0.35) CYP1A2CYP2C9PRMT5WDR77
SCHEMBL20380147 0.67 BRAF (0.37) ALDH1A1GAAPRMT5WDR77PARP1
SCHEMBL21623709 0.67 PRMT5 (0.32) GAAPRMT5WDR77PARP1
SCHEMBL997527 0.67 PRMT5 (0.35) GAAPRMT5WDR77PARP1
SCHEMBL15174581 0.66 ADORA3 (0.60) ALDH1A1MEN1KMT2AGAAPRMT5
SCHEMBL20125049 0.66 CYP1A2 (1.00) CYP1A2CYP2C9ALDH1A1LMNAMAPK1
SCHEMBL18766625 0.66 CYP1A2 (0.67) CYP1A2CYP2C9ALDH1A1LMNAMAPK1
SCHEMBL28921245 0.66 CYP1A2 (0.67) CYP1A2CYP2C9ALDH1A1LMNAMAPK1
SCHEMBL1356256 0.66 CYP1A2 (0.67) CYP1A2CYP2C9ALDH1A1LMNAMAPK1

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 CYP1A2 1549/4885CYP2C9 3165/4885ALDH1A1 4011/4885
US-20090181985-A1 IMIDAZO[1,2-b]PYRIDAZINE COMPOUND CRHR1, CRHR2, CRH CYP1A2 1549/4885CYP2C9 3165/4885ALDH1A1 4011/4885
US-20040082781-A1 Bicyclic nitrogenous fused-ring compound CRHR1, CRH, CRHR2 CYP1A2 2576/4885CYP2C9 3391/4885ALDH1A1 3803/4885

“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.