SCHEMBL14694366

SCHEMBL14694366

Cc1ccncc1-c1ccnn2c(-c3cccnc3)cnc12

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 17/20 0.83
CYP1A2 P05177 8/20 0.83
IDO1 P14902 1/20 0.43
DYRK3 O43781 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CDK5 Q00535 1/20 0.41
DYRK1A Q13627 1/20 0.41
CDK5R1 Q15078 1/20 0.41
DYRK2 Q92630 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 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
SCHEMBL12176983 0.91 CYP17A1 (1.00) CYP17A1CYP1A2
SCHEMBL2595437 0.88 CYP17A1 (0.77) CYP17A1CYP1A2
SCHEMBL14694482 0.86 CYP17A1 (1.00) CYP17A1CYP1A2
SCHEMBL12177210 0.86 CYP17A1 (0.78) CYP17A1CYP1A2
SCHEMBL14706954 0.86 CYP17A1 (0.81) CYP17A1CYP1A2
SCHEMBL14694478 0.85 CYP17A1 (1.00) CYP17A1CYP1A2
SCHEMBL14694387 0.84 CYP17A1 (0.79) CYP17A1CYP1A2IDO1
SCHEMBL14694394 0.84 CYP17A1 (1.00) CYP17A1CYP1A2IDO1DYRK3CCNA2
SCHEMBL2591189 0.84 CYP17A1 (0.79) CYP17A1CYP1A2
SCHEMBL2588731 0.84 CYP17A1 (1.00) CYP17A1CYP1A2IDO1MAPT

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 6 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
US-20130045980-A1 IMIDAZOPYRIDAZINYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-21 US claimed
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
US-20130045980-A1 IMIDAZOPYRIDAZINYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-21 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-20130045980-A1 IMIDAZOPYRIDAZINYL COMPOUNDS CYP2C19, CYP3A7, CYP2C18 CYP17A1 54/4885CYP1A2 9/4885IDO1 690/4885

“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.