SCHEMBL2587151

SCHEMBL2587151

Ic1cnc2c(-c3cncc4ccccc34)ccnn12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 9/20 0.46
CYP1A2 P05177 1/20 0.41
PRKCZ Q05513 1/20 0.39
EGFR P00533 1/20 0.38
CYP11B2 P19099 5/20 0.37
CYP11B1 P15538 2/20 0.37
LRRK2 Q5S007 1/20 0.37
KCNA5 P22460 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP3A4 P08684 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
SLC22A12 Q96S37 1/20 0.35

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
SCHEMBL2593791 0.78 CYP17A1 (0.63) CYP17A1CYP1A2PRKCZCYP11B2CYP11B1
SCHEMBL2591802 0.76 CYP17A1 (0.52) CYP17A1CYP1A2PRKCZEGFRCYP11B2
SCHEMBL2592210 0.74 CYP17A1 (0.42) CYP17A1CYP1A2EGFRCYP11B2CYP11B1
SCHEMBL2594029 0.74 CYP17A1 (0.47) CYP17A1CYP1A2CYP11B2CYP11B1CYP3A4
SCHEMBL20873066 0.72 PRKCZ (0.64) CYP17A1CYP1A2PRKCZCYP11B2CYP11B1
SCHEMBL2593570 0.71 CYP17A1 (0.61) CYP17A1CYP1A2CYP3A4
SCHEMBL20873077 0.67 CYP1A2 (0.57) CYP17A1CYP1A2PRKCZKCNA5KCNH2
SCHEMBL16331136 0.67 MKNK1 (0.54) CYP17A1PRKCZCYP11B2CYP11B1LRRK2
SCHEMBL30359418 0.66 PRKCZ (0.53) CYP17A1CYP1A2PRKCZCYP11B2CYP11B1
SCHEMBL4562594 0.63 CYP17A1 (1.00) CYP17A1CYP1A2CYP11B1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9145419-B2 Imidazopyridazinyl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-09-29 US disclosed
US-9145419-B2 Imidazopyridazinyl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-09-29 US disclosed
US-9145419-B2 Imidazopyridazinyl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-09-29 US disclosed
EP-2563792-B1 IMIDAZOPYRIDAZINYL COMPOUNDS AND THEIR USES FOR CANCER BRISTOL MYERS SQUIBB CO (US) 2014-08-27 EP disclosed
EP-2563792-B1 IMIDAZOPYRIDAZINYL COMPOUNDS AND THEIR USES FOR CANCER BRISTOL MYERS SQUIBB CO (US) 2014-08-27 EP disclosed
EP-2563792-A1 IMIDAZOPYRIDAZINYL COMPOUNDS AND THEIR USES FOR CANCER Bristol-Myers Squibb Company (US) 2013-03-06 EP disclosed
US-20130045980-A1 IMIDAZOPYRIDAZINYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-21 US disclosed
US-20130045980-A1 IMIDAZOPYRIDAZINYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-21 US disclosed
US-20130045980-A1 IMIDAZOPYRIDAZINYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-21 US disclosed
WO-2011137155-A1 IMIDAZOPYRIDAZINYL COMPOUNDS AND THEIR USES FOR CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-03 WO disclosed
WO-2011137155-A1 IMIDAZOPYRIDAZINYL COMPOUNDS AND THEIR USES FOR CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-03 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-20130045980-A1 IMIDAZOPYRIDAZINYL COMPOUNDS CYP2C19, CYP3A7, CYP2C18 CYP17A1 54/4885CYP1A2 9/4885PRKCZ 1287/4885

“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.