SCHEMBL1845883

SCHEMBL1845883

Nc1nnc(-c2ccccc2)cc1Br

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 3/20 0.66
PBRM1 Q86U86 3/20 0.66
SMARCA4 P51532 2/20 0.66
BRD4 O60885 1/20 0.46
NR1I2 O75469 1/20 0.46
ADORA1 P30542 3/20 0.45
ADORA2A P29274 2/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
GABRA1 P14867 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
CHEK1 O14757 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
ASIC3 Q9UHC3 3/20 0.41
CASP1 P29466 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
SCHEMBL16598538 0.81 SMARCA2 (0.43) SMARCA2PBRM1SMARCA4ADORA1ADORA2A
SCHEMBL10634913 0.79 SMARCA2 (1.00) SMARCA2PBRM1SMARCA4BRD4NR1I2
SCHEMBL29912639 0.79 SMARCA2 (1.00) SMARCA2PBRM1SMARCA4BRD4NR1I2
SCHEMBL2335714 0.76 CASP1 (0.53) SMARCA2PBRM1SMARCA4GSK3AGSK3B
SCHEMBL1752783 0.76 SMARCA2 (0.66) SMARCA2PBRM1SMARCA4BRD4NR1I2
SCHEMBL31396251 0.74 PBRM1 (0.66) SMARCA2PBRM1SMARCA4BRD4NR1I2
SCHEMBL14890414 0.72 GABRG2 (0.54) GABRG2GABRB3GABRA5GABRA3NPC1
SCHEMBL14944040 0.72 SMARCA2 (0.82) SMARCA2PBRM1SMARCA4BRD4NR1I2
SCHEMBL14387450 0.72 SMARCA2 (0.59) SMARCA2PBRM1SMARCA4BRD4NR1I2
SCHEMBL3646802 0.72 SMARCA2 (0.59) SMARCA2PBRM1SMARCA4BRD4NR1I2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104024261-B Imidazopyridazine compounds HOFFMAN-LA ROCHE LTD. (CH) 2016-11-30 CN disclosed
US-9169259-B2 Imidazopyridazine compounds HOFFMANN-LA ROCHE INC. (US) 2015-10-27 US disclosed
US-9169259-B2 Imidazopyridazine compounds HOFFMANN-LA ROCHE INC. (US) 2015-10-27 US disclosed
US-9169259-B2 Imidazopyridazine compounds HOFFMANN-LA ROCHE INC. (US) 2015-10-27 US disclosed
EP-2773645-A1 IMIDAZOPYRIDAZINE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2014-09-10 EP disclosed
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
WO-2013064445-A1 IMIDAZOPYRIDAZINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2013-05-10 WO disclosed
WO-2013064445-A1 IMIDAZOPYRIDAZINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2013-05-10 WO disclosed
US-20130109661-A1 IMIDAZOPYRIDAZINE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2013-05-02 US disclosed
US-20110195951-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-11 US disclosed
US-20110195951-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-11 US disclosed
US-20110195951-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-11 US disclosed
EP-2324021-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE Eisai R&D Management Co., Ltd. (JP) 2011-05-25 EP disclosed
WO-2010015803-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R & D MANAGEMENT CO. LTD (JP) 2010-02-11 WO disclosed
WO-2010015803-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R & D MANAGEMENT CO. LTD (JP) 2010-02-11 WO disclosed
EP-1673088-A1 1,1,1- TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO¬2,3-C|PYRIDIN-2-YLMETHYL)PENTAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS GLUCOCORTICOID LIGANDS FOR THE TREATMENT OF INFLAMMATORY DISEASES AND DIABETES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-06-28 EP disclosed
US-20050176706-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-08-11 US disclosed
WO-2005030213-A1 1,1,1-TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-04-07 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-20050176706-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof NR3C1, NR3C2, MC2R SMARCA2 2813/4885PBRM1 1365/4885SMARCA4 1952/4885
US-20110195951-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE DAPK1, DAPK2, DAPK3 SMARCA2 4389/4885PBRM1 3742/4885SMARCA4 4672/4885
US-20130109661-A1 IMIDAZOPYRIDAZINE COMPOUNDS SYK, BTK, IRAK4 SMARCA2 3440/4885PBRM1 1041/4885SMARCA4 3045/4885

“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.