SCHEMBL14890705

SCHEMBL14890705

Nc1cccc(N2CCCC2CO)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.44
CCNE1 P24864 3/20 0.43
CDK2 P24941 3/20 0.43
CCNE2 O96020 1/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
ADK P55263 1/20 0.43
CHUK O15111 2/20 0.43
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
PDK2 Q15119 2/20 0.42
PAK4 O96013 1/20 0.42
PDK4 Q16654 1/20 0.42
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2B P29275 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
PIM1 P11309 1/20 0.41

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
SCHEMBL14890849 0.85 NR1I2 (0.47) SYKPDK2PDK4ADORA2AADORA1
SCHEMBL18176130 0.82 PIM1 (0.50) SYKCCNE1CDK2CCNE2CDK4
SCHEMBL18013223 0.82 HTR3E (0.47) SYKCCNE1CDK2CCNE2CDK4
SCHEMBL14890407 0.82 ADORA2A (0.53) SYKADORA2AADORA1PIM1PIM3
SCHEMBL2415235 0.79 ADK (0.43) SYKCCNE1CDK2CCNE2CDK4
SCHEMBL2637996 0.79 SYK (0.47) SYKCCNE1CDK2CCNE2CDK4
SCHEMBL2638109 0.79 SYK (0.47) SYKCCNE1CDK2CCNE2CDK4
SCHEMBL2637993 0.79 SYK (0.47) SYKCCNE1CDK2CCNE2CDK4
SCHEMBL2412675 0.78 CHUK (0.47) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL14120128 0.77 SMPD3 (0.53) SYKPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9169259-B2 Imidazopyridazine compounds HOFFMANN-LA ROCHE INC. (US) 2015-10-27 US disclosed
US-9169259-B2 Imidazopyridazine compounds HOFFMANN-LA ROCHE INC. (US) 2015-10-27 US disclosed
US-9169259-B2 Imidazopyridazine compounds HOFFMANN-LA ROCHE INC. (US) 2015-10-27 US disclosed
EP-2773645-A1 IMIDAZOPYRIDAZINE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2014-09-10 EP disclosed
CN-104024261-A Imidazopyridazine compounds HOFFMANN LA ROCHE 2014-09-03 CN disclosed
WO-2013064445-A1 IMIDAZOPYRIDAZINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2013-05-10 WO disclosed
WO-2013064445-A1 IMIDAZOPYRIDAZINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2013-05-10 WO disclosed
US-20130109661-A1 IMIDAZOPYRIDAZINE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2013-05-02 US disclosed
US-20130109661-A1 IMIDAZOPYRIDAZINE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2013-05-02 US disclosed
US-20130109661-A1 IMIDAZOPYRIDAZINE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2013-05-02 US 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-20130109661-A1 IMIDAZOPYRIDAZINE COMPOUNDS SYK, BTK, IRAK4 SYK 1/4885CCNE1 4804/4885CDK2 3128/4885

“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.