SCHEMBL2956640

SCHEMBL2956640

CCCOc1nnc(N)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.39
NOS1 P29475 3/20 0.39
NOS2 P35228 2/20 0.39
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
KDM4E B2RXH2 4/20 0.36
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 3/20 0.36
TP53 P04637 2/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL14928306 0.74 KDM4E (0.40) NOS3NOS1NOS2CDK1CCNB1
SCHEMBL20795396 0.67 MAPT (0.40) NOS3NOS1NOS2CDK1CCNB1
SCHEMBL2947144 0.65 MCHR1 (0.47) KDM4EMAPTALDH1A1GAATP53
SCHEMBL1189049 0.65 ALDH1A1 (0.41) KDM4EMAPTALDH1A1GAATP53
SCHEMBL18975765 0.65 HSD17B10 (0.38) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL19055601 0.64 AGBL2 (0.44) ALDH1A1GAAMEN1KMT2AL3MBTL1
SCHEMBL22235047 0.64 CDK1 (0.41) NOS3NOS2CDK1CCNB1CCNA2
SCHEMBL5028320 0.64 ALDH1A1 (0.42) KDM4EMAPTALDH1A1GAATP53
SCHEMBL4075899 0.64 HSD17B10 (0.41) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL7754716 0.64

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759349-B2 Control of parasites in animals by the use of imidazo[1,2-b]pyridazine derivatives SCHERING-PLOUGH ANIMAL HEALTH CORPORATION (US) 2010-07-20 US disclosed
CN-100582108-C Control of parasites in animals by the use of imidazo[1,2-b]pyridazine derivatives SCHERING PLOUGH ANIMAL HEALTH 2010-01-20 CN disclosed
EP-1699799-B1 CONTROL OF PARASITES IN ANIMALS BY THE USE OF IMIDAZO [1,2-B]PYRIDAZINE DERIVATIVES SCHERING PLOUGH LTD (CH) 2007-05-16 EP disclosed
CN-1922181-A Control of parasites in animals by the use of imidazo[1,2-b]pyridazine derivatives SCHERING PLOUGH ANIMAL HEALTH (CH) 2007-02-28 CN disclosed
EP-1699799-A1 CONTROL OF PARASITES IN ANIMALS BY THE USE OF IMIDAZO [1,2-B]PYRIDAZINE DERIVATIVES Schering-Plough Ltd. (CH) 2006-09-13 EP disclosed
US-20050182059-A1 Control of parasites in animals by the use of imidazo[1,2-b]pyridazine derivatives SCHERING-PLOUGH ANIMAL HEALTH CORPORATION 2005-08-18 US disclosed
WO-2005066177-A1 CONTROL OF PARASITES IN ANIMALS BY THE USE OF IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES SCHERING-PLOUGH LTD. (CH) 2005-07-21 WO 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 (1 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-20050182059-A1 Control of parasites in animals by the use of imidazo[1,2-b]pyridazine derivatives PLPBP, PIR, PPIP5K2 NOS3 3643/4885NOS1 3962/4885NOS2 3181/4885

“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.