SCHEMBL14890849

SCHEMBL14890849

CCC1CCCN1c1cccc(N)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.47
SMARCA2 P51531 2/20 0.47
SMARCA4 P51532 2/20 0.47
PBRM1 Q86U86 2/20 0.47
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
SYK P43405 1/20 0.44
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42
AR P10275 1/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39
HIF1A Q16665 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAP4K1 Q92918 2/20 0.39
KDM4E B2RXH2 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL14890705 0.85 SYK (0.44) SYKPDK2PDK4ALDH1A1ADORA2A
SCHEMBL14890407 0.85 ADORA2A (0.53) SYKNOS3NOS1NOS2ADORA2A
SCHEMBL14890848 0.80 SMPD3 (0.53) NR1I2SMARCA2SMARCA4PBRM1NR1H2
SCHEMBL14120130 0.80 SMPD3 (0.53) NR1I2SMARCA2SMARCA4PBRM1NR1H2
SCHEMBL14120128 0.80 SMPD3 (0.53) NR1I2SMARCA2SMARCA4PBRM1NR1H2
SCHEMBL23582395 0.77 MEN1 (0.36) NR1I2SMARCA2SMARCA4PBRM1NR1H2
SCHEMBL27983961 0.77 ADK (0.42) NR1I2SMARCA2SMARCA4PBRM1NR1H2
SCHEMBL14890430 0.76 ASIC3 (0.49) NR1I2SMARCA2SMARCA4PBRM1NR1H2
Benzene SCHEMBL27983970 0.75 SYK (0.46) SYKNOS2MAPTHPGDHIF1A
SCHEMBL30003507 0.73 NR1I2 (0.42) NR1I2SMARCA2SMARCA4PBRM1NR1H2

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 NR1I2 645/4885SMARCA2 3440/4885SMARCA4 3045/4885

“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.