SCHEMBL17857352

SCHEMBL17857352

Cc1cn2nc(N3CCOCC3)cc(N)c2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
PIK3CD O00329 9/20 0.47
PIK3C2B O00750 9/20 0.47
MTOR P42345 9/20 0.47
PIK3CG P48736 9/20 0.47
SMPD3 Q9NY59 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PIK3CA P42336 2/20 0.42
PIK3CB P42338 1/20 0.42
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAP3K12 Q12852 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
SCHEMBL21120181 0.86 KMT2A (0.48) CRHBPCRHR2KMT2AALDH1A1HTT
SCHEMBL17857351 0.83 KMT2A (0.46) CRHBPCRHR2KMT2AALDH1A1HTT
SCHEMBL21120183 0.81 KMT2A (0.43) CRHBPCRHR2PIK3CDMTORPIK3CG
SCHEMBL19760565 0.80 HTT (0.47) CRHBPCRHR2KMT2AALDH1A1HTT
SCHEMBL2575429 0.75 SMPD3 (0.52) CRHBPCRHR2SMPD3KMT2AALDH1A1
SCHEMBL17857220 0.73 PIK3CD (0.59) PIK3CDPIK3C2BMTORPIK3CGPIK3CA
SCHEMBL25341891 0.73 MAPT (0.42) CRHBPCRHR2PIK3CDPIK3C2BMTOR
SCHEMBL17857329 0.73 SMN1; SMN2 (0.42) CRHBPCRHR2PIK3CDPIK3C2BMTOR
SCHEMBL17232705 0.72 SMN1; SMN2 (0.47) CRHBPCRHR2KMT2AALDH1A1HTT
SCHEMBL2584005 0.72 PDE10A (0.53) SMPD3KMT2AMAPTCYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233862-B1 IMIDAZOPYRIDAZINE DERIVATIVES AS PI3KBETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-07-03 EP disclosed
US-20180002336-A1 IMIDAZOPYRIDAZINE DERIVATIVES AS PI3KB INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2018-01-04 US disclosed
WO-2016097347-A1 IMIDAZOPYRIDAZINE DERIVATIVES AS ΡΙ3Κβ INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-06-23 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-20180002336-A1 IMIDAZOPYRIDAZINE DERIVATIVES AS PI3KB INHIBITORS PIK3CB, PIK3CD, PIK3CA CRHBP 3851/4885CRHR2 4657/4885PIK3CD 2/4885

“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.