SCHEMBL3922902

SCHEMBL3922902

Cc1ccc(NC(=O)C(C)(C)C)nn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
SORT1 Q99523 1/20 0.46
KDM4E B2RXH2 3/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
ADORA1 P30542 2/20 0.42
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
CETP P11597 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CA12 O43570 1/20 0.38

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
SCHEMBL21386280 0.82 SORT1 (0.41) L3MBTL1SORT1KDM4EMAPTGAA
SCHEMBL28941022 0.80 SORT1 (0.54) SORT1KDM4EMAPTGAANPC1
SCHEMBL17857141 0.80 L3MBTL1 (0.47) L3MBTL1KDM4EMAPTADORA1POLB
SCHEMBL15017984 0.80 L3MBTL1 (0.47) L3MBTL1KDM4EMAPTADORA1POLB
SCHEMBL5591663 0.80 L3MBTL1 (0.47) L3MBTL1MAPTGAAADORA1POLB
SCHEMBL13904227 0.80 L3MBTL1 (0.47) L3MBTL1KDM4EMAPTADORA1POLB
SCHEMBL3923269 0.79 L3MBTL1 (0.46) L3MBTL1KDM4EMAPTADORA1ALDH1A1
SCHEMBL14009931 0.79 GLS (0.50) L3MBTL1SORT1KDM4EMAPTGAA
SCHEMBL5598367 0.76 L3MBTL1 (0.43) L3MBTL1KDM4EMAPTADORA1POLB
SCHEMBL15017866 0.75 GLS (0.43) L3MBTL1MAPTADORA1POLBALDH1A1

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 14 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
EP-3233862-B1 IMIDAZOPYRIDAZINE DERIVATIVES AS PI3KBETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-07-03 EP disclosed
US-20170073334-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-03-16 US disclosed
CN-101142217-B Imidazopyridazine compounds LILLY CO ELI 2010-12-08 CN disclosed
US-7612067-B2 Imidazopyridazine compounds ELI LILLY AND COMPANY (US) 2009-11-03 US disclosed
US-7557103-B2 Imidazopyridazine compounds ELI LILLY AND COMPANY (US) 2009-07-07 US disclosed
EP-1869049-B1 IMIDAZOPYRIDAZINE COMPOUNDS LILLY CO ELI (US) 2009-03-04 EP disclosed
US-20080153828-A1 Imidazopyridazine Compounds ELI LILLY AND COMPANY 2008-06-26 US disclosed
US-20080113978-A1 Imidazopyridazine Compounds ELI LILLY AND COMPANY 2008-05-15 US disclosed
CN-101142217-A Imidazopyridazine compounds LILLY CO ELI (US) 2008-03-12 CN disclosed
EP-1879896-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-01-23 EP disclosed
EP-1869049-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2007-12-26 EP disclosed
WO-2006107784-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2006-10-12 WO disclosed
WO-2006102194-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2006-09-28 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 (3 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-20170073334-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE PRKACA, PRKDC, PRKACB L3MBTL1 2514/4885SORT1 2684/4885KDM4E 1978/4885
US-20080153828-A1 Imidazopyridazine Compounds CRHR1, CRH, CRHR2 L3MBTL1 4787/4885SORT1 3435/4885KDM4E 4385/4885
US-20080113978-A1 Imidazopyridazine Compounds CRHR1, CRH, CRHR2 L3MBTL1 4790/4885SORT1 3409/4885KDM4E 4436/4885

“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.