SCHEMBL137744

SCHEMBL137744

Cc1cc2ncc(Br)n2nc1Cl

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP1A2 P05177 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CHRNB2 P17787 5/20 0.31
CHRNA4 P43681 5/20 0.31
CHRNB4 P30926 4/20 0.31
CHRNA3 P32297 4/20 0.31

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
SCHEMBL23631009 0.81 AKT1 (0.33) AKT1AKT2
SCHEMBL19578086 0.81 NPC1 (0.39) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL25310605 0.80 NPC1 (0.37) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL3027232 0.79 NPC1 (0.37) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL23630957 0.79 AKT1 (0.32) AKT1AKT2
SCHEMBL28497783 0.78 AKT1 (0.30) AKT1AKT2
SCHEMBL25311795 0.76 NPC1 (0.38) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL16265142 0.76 NPC1 (0.35) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL19554501 0.73 NPC1 (0.43) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL14126501 0.72 AKT1 (0.52) NPC1RAB9AHPGDSMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021146424-A1 BICYCLIC HETEROCYCLES AS FGFR INHIBITORS INCYTE CORPORATION (US) 2021-07-22 WO disclosed
US-20210214366-A1 BICYCLIC HETEROCYCLES AS FGFR INHIBITORS INCYTE CORPORATION 2021-07-15 US disclosed
EP-2822559-B1 IMIDAZO[1,2-B]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND USES THEREOF LEXICON PHARMACEUTICALS INC (US) 2018-05-02 EP disclosed
EP-2822559-B1 IMIDAZO[1,2-B]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND USES THEREOF LEXICON PHARMACEUTICALS INC (US) 2018-05-02 EP disclosed
US-9730929-B2 Substituted aminoimidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-08-15 US disclosed
US-9730929-B2 Substituted aminoimidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-08-15 US disclosed
US-9730929-B2 Substituted aminoimidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-08-15 US disclosed
EP-2714692-B1 SUBSTITUTED AMINOIMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2017-03-22 EP disclosed
US-20170057964-A1 IMIDAZO[1,2-b]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2017-03-02 US disclosed
US-20170057964-A1 IMIDAZO[1,2-b]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2017-03-02 US disclosed
US-20110281863-A1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2011-11-17 US disclosed
US-20110281863-A1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2011-11-17 US disclosed
US-20100227861-A1 IMIDAZO[1,2-beta]PYRIDAZINE AND PYRAZOLO[1,5-alpha]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2010-09-09 US disclosed
US-20100227861-A1 IMIDAZO[1,2-beta]PYRIDAZINE AND PYRAZOLO[1,5-alpha]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2010-09-09 US disclosed
US-20100227861-A1 IMIDAZO[1,2-beta]PYRIDAZINE AND PYRAZOLO[1,5-alpha]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2010-09-09 US disclosed
US-7750007-B2 Imidazo[1,2-beta]pyridazine and pyrazolo[1,5-alpha]pyrimidine derivatives and their use as protein kinase inhibitors SUPERGEN, INC. (US) 2010-07-06 US disclosed
US-7750007-B2 Imidazo[1,2-beta]pyridazine and pyrazolo[1,5-alpha]pyrimidine derivatives and their use as protein kinase inhibitors SUPERGEN, INC. (US) 2010-07-06 US disclosed
US-20080261988-A1 IMIDAZO[1,2-beta]PYRIDAZINE AND PYRAZOLO[1,5-alpha]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2008-10-23 US disclosed
US-20080261988-A1 IMIDAZO[1,2-beta]PYRIDAZINE AND PYRAZOLO[1,5-alpha]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2008-10-23 US disclosed
WO-2008058126-A2 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2008-05-15 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 (5 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-20110281863-A1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 NPC1 3669/4885RAB9A 2635/4885HPGD 2783/4885
US-20080261988-A1 IMIDAZO[1,2-beta]PYRIDAZINE AND PYRAZOLO[1,5-alpha]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 NPC1 3687/4885RAB9A 2906/4885HPGD 2537/4885
US-20210214366-A1 BICYCLIC HETEROCYCLES AS FGFR INHIBITORS FGFR3, FGFR2, FGFR1 NPC1 3755/4885RAB9A 2904/4885HPGD 959/4885
US-20170057964-A1 IMIDAZO[1,2-b]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE IRAK2, IRAK1, GRB2 NPC1 1854/4885RAB9A 1711/4885HPGD 4028/4885
US-20100227861-A1 IMIDAZO[1,2-beta]PYRIDAZINE AND PYRAZOLO[1,5-alpha]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 NPC1 3687/4885RAB9A 2906/4885HPGD 2537/4885

“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.