SCHEMBL2591802

SCHEMBL2591802

c1ccc2c(-c3ccnn4ccnc34)cncc2c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.52
CYP11B2 P19099 10/20 0.46
BMP4 P12644 1/20 0.45
PRKCZ Q05513 1/20 0.42
CYP11B1 P15538 7/20 0.41
EGFR P00533 1/20 0.40
JAK1 P23458 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
LRRK2 Q5S007 1/20 0.39
KCNA5 P22460 1/20 0.39
KCNH2 Q12809 1/20 0.39
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL2594102 0.80 CYP11B2 (0.52) CYP17A1CYP11B2PRKCZCYP11B1EGFR
SCHEMBL2587151 0.76 CYP17A1 (0.46) CYP17A1CYP11B2PRKCZCYP11B1EGFR
SCHEMBL1367994 0.76 BMP4 (0.45) CYP17A1BMP4JAK1PIK3C3
SCHEMBL20873066 0.75 PRKCZ (0.64) CYP17A1CYP11B2PRKCZCYP11B1CYP3A4
SCHEMBL2594943 0.73 CYP17A1 (0.56) CYP17A1CYP1A2
SCHEMBL1202802 0.71 CDK2 (0.45) BMP4JAK1PIK3C3LRRK2
SCHEMBL2593791 0.71 CYP17A1 (0.63) CYP17A1CYP11B2PRKCZCYP11B1CYP1A2
SCHEMBL20873077 0.70 CYP1A2 (0.57) CYP17A1BMP4PRKCZCYP1A2KCNA5
SCHEMBL2591159 0.69 CYP17A1 (0.51) CYP17A1BMP4CYP11B1CYP3A4CYP1A2
SCHEMBL4562594 0.69 CYP17A1 (1.00) CYP17A1CYP11B1CYP3A4CYP1A2

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 12 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
CN-102971326-A Imidazopyridazinyl compounds and their uses for cancer BRISTOL MYERS SQUIBB CO 2013-03-13 CN 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 54/4885CYP11B2 45/4885BMP4 3862/4885

“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.