SCHEMBL3965245

SCHEMBL3965245

Cc1cc(C)c(NC(=O)C(C)(C)C)nn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.38
ADORA1 P30542 1/20 0.37
ATM Q13315 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LCK P06239 1/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 2/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL3967355 0.81 L3MBTL1 (0.39) HTTL3MBTL1KDM4EADORA1ATM
SCHEMBL3969946 0.80 GAA (0.50) HTTL3MBTL1KDM4EADORA1ATM
SCHEMBL3966666 0.78 L3MBTL1 (0.36) HTTL3MBTL1KDM4EADORA1ATM
SCHEMBL3964910 0.78 ADORA1 (0.43) HTTL3MBTL1KDM4EADORA1NPC1
SCHEMBL3926799 0.77 ATM (0.37) HTTL3MBTL1KDM4EADORA1ATM
SCHEMBL3963052 0.76 TMIGD3 (0.38) HTTL3MBTL1KDM4EADORA1NPC1
SCHEMBL4694453 0.75 S1PR1 (0.38) HTTL3MBTL1ATMNPC1RAB9A
SCHEMBL3966602 0.75 ATM (0.36) HTTL3MBTL1KDM4EADORA1ATM
SCHEMBL19913061 0.73 CNR2 (0.46) KDM4ENPC1RAB9AGAAMAPT
SCHEMBL10172955 0.70 NPC1 (0.53) HTTL3MBTL1KDM4EADORA1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233839-B1 HETEROCYCLYL LINKED IMIDAZOPYRIDAZINE DERIVATIVES AS PI3KBETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-09-25 EP disclosed
US-7557103-B2 Imidazopyridazine compounds ELI LILLY AND COMPANY (US) 2009-07-07 US disclosed
US-20080153828-A1 Imidazopyridazine Compounds ELI LILLY AND COMPANY 2008-06-26 US disclosed
EP-1879896-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-01-23 EP disclosed
WO-2006107784-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2006-10-12 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-20080153828-A1 Imidazopyridazine Compounds CRHR1, CRH, CRHR2 HTT 1254/4885L3MBTL1 4787/4885KDM4E 4385/4885

“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.