SCHEMBL2594029

SCHEMBL2594029

Fc1ccc(-c2cnc3c(-c4cncc5ccccc45)ccnn23)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 13/20 0.47
CYP1A2 P05177 1/20 0.41
CYP11B2 P19099 6/20 0.39
CYP11B1 P15538 4/20 0.39
CYP3A4 P08684 1/20 0.38
P2RX7 Q99572 1/20 0.37
IDO1 P14902 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
SCHEMBL2593791 0.84 CYP17A1 (0.63) CYP17A1CYP1A2CYP11B2CYP11B1IDO1
SCHEMBL14694634 0.80 CYP17A1 (0.70) CYP17A1CYP1A2IDO1
SCHEMBL14694401 0.78 CYP17A1 (0.71) CYP17A1CYP1A2CYP11B2CYP11B1IDO1
SCHEMBL2592210 0.76 CYP17A1 (0.42) CYP17A1CYP1A2CYP11B2CYP11B1IDO1
SCHEMBL2587151 0.74 CYP17A1 (0.46) CYP17A1CYP1A2CYP11B2CYP11B1CYP3A4
SCHEMBL14694745 0.68 CYP17A1 (0.69) CYP17A1CYP1A2
SCHEMBL14694694 0.68 CYP17A1 (0.73) CYP17A1CYP1A2IDO1
SCHEMBL14694916 0.68 CYP17A1 (0.72) CYP17A1CYP1A2
SCHEMBL14830570 0.68 CYP17A1 (0.69) CYP17A1CYP1A2CYP11B2CYP11B1CYP3A4
SCHEMBL2591802 0.67 CYP17A1 (0.52) CYP17A1CYP1A2CYP11B2CYP11B1CYP3A4

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 16 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 claimed
EP-2563792-B1 IMIDAZOPYRIDAZINYL COMPOUNDS AND THEIR USES FOR CANCER BRISTOL MYERS SQUIBB CO (US) 2014-08-27 EP claimed
EP-2563792-A1 IMIDAZOPYRIDAZINYL COMPOUNDS AND THEIR USES FOR CANCER Bristol-Myers Squibb Company (US) 2013-03-06 EP claimed
US-20130045980-A1 IMIDAZOPYRIDAZINYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-21 US claimed
WO-2011137155-A1 IMIDAZOPYRIDAZINYL COMPOUNDS AND THEIR USES FOR CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-03 WO claimed
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 9/4885CYP11B2 45/4885

“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.