SCHEMBL3452622

SCHEMBL3452622

Brc1cnc2ccc(NCCCN3CCCC3)nn12

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ IKBKB O14920 6/20 0.44
▸ FYN P06241 4/20 0.44
▸ MKNK1 Q9BUB5 3/20 0.43
▸ CHUK O15111 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ HRH3 Q9Y5N1 3/20 0.40
▸ TSHR P16473 1/20 0.39

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
SCHEMBL12699514 0.92 IKBKB (0.48) IKBKBFYNMKNK1CHUKMAPK10
SCHEMBL3452219 0.90 NMT1 (0.48) MAPK1HSD17B10FYNMKNK1TSHR
SCHEMBL3452045 0.89 PIM1 (0.49) MAPK1HSD17B10FYNMKNK1TSHR
SCHEMBL12699506 0.82 NMT1 (0.47) IKBKBFYNMKNK1
SCHEMBL3452919 0.82 KDM4E (0.53) MAPK1HSD17B10MKNK1
SCHEMBL15254771 0.82 CXCR4 (0.46) HSD17B10IKBKBFYNMKNK1HRH3
SCHEMBL12699333 0.81 PIM1 (0.56) HSD17B10FYNTSHR
SCHEMBL2950275 0.81 MKNK1 (0.59) MAPK1HSD17B10IKBKBFYNMKNK1
SCHEMBL15254573 0.80 MKNK1 (0.48) IKBKBFYNMKNK1
SCHEMBL15254396 0.80 FYN (0.52) FYNMKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820670-B2 6-aminoimidazo[1,2-b]pyridazine analogs as rho kinase inhibitors for the treatment of rho kinase-mediated diseases and conditions ALCON RESEARCH, LTD. (US) 2010-10-26 — — US disclosed
US-7750000-B2 Substituted imidazo[1,2b]pyridazines as kinase inhibitors, their preparation and use as medicaments BAYER SCHERING PHARMA AG (DE) 2010-07-06 — — US disclosed
US-7750000-B2 Substituted imidazo[1,2b]pyridazines as kinase inhibitors, their preparation and use as medicaments BAYER SCHERING PHARMA AG (DE) 2010-07-06 — — US disclosed
US-20080153813-A1 6-AMINOIMIDAZO[1,2-b]PYRIDAZINE ANALOGS AS RHO KINASE INHIBITORS FOR THE TREATMENT OF RHO KINASE-MEDIATED DISEASES AND CONDITIONS ALCON MANUFACTURING, LTD. (US) 2008-06-26 — — US disclosed
US-20070093490-A1 Substituted imidazo[1,2b]pyridazines as kinase inhibitors, their preparation and use as medicaments BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-04-26 — — US disclosed
US-20070093490-A1 Substituted imidazo[1,2b]pyridazines as kinase inhibitors, their preparation and use as medicaments BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-04-26 — — US disclosed
WO-2007025540-A2 SUBSTITUTED IMIDAZO[1,2B]PYRIDAZINES AS KINASE INHIBITORS, THE PRODUCTION THEREOF, AND USE OF THE SAME AS MEDICAMENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-08 — — 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 (2 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-20070093490-A1 Substituted imidazo[1,2b]pyridazines as kinase inhibitors, their preparation and use as medicaments MAP4K2, MAP3K1, MAP3K2 MAPK1 28/4885HSD17B10 4695/4885IKBKB 207/4885
US-20080153813-A1 6-AMINOIMIDAZO[1,2-b]PYRIDAZINE ANALOGS AS RHO KINASE INHIBITORS FOR THE TREATMENT OF RHO KINASE-MEDIATED DISEASES AND CONDITIONS ROCK2, ROCK1, RHOT2 MAPK1 180/4885HSD17B10 4125/4885IKBKB 524/4885

“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.

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