SCHEMBL12470876

SCHEMBL12470876

COC(=O)Cc1c(F)cc2ncc(CN3CCOCC3)cc2c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.41
HTR2C P28335 1/20 0.41
BDKRB1 P46663 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
PDE1B Q01064 1/20 0.38
FAAH O00519 3/20 0.38
KCNH2 Q12809 1/20 0.38
PARP1 P09874 1/20 0.38
GCK P35557 1/20 0.38
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
TYK2 P29597 2/20 0.38
JAK3 P52333 2/20 0.38
TSHR P16473 1/20 0.37
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37

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
SCHEMBL12470487 0.84 MAPT (0.41) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL12470616 0.76 MET (0.46) ALDH1A1FAAHKMT2A
SCHEMBL3149520 0.75 TSHR (0.36) TSHRKMT2A
SCHEMBL3597330 0.72 MET (0.46)
SCHEMBL12470383 0.71 PDGFRB (0.39) KDM4EPARP1HIF1AKMT2AGLA
SCHEMBL25379255 0.70 SMN1; SMN2 (0.49) KDM4EALDH1A1GAATSHR
SCHEMBL12470752 0.69 AOC3 (0.43) KCNH2JAK2JAK1TYK2JAK3
SCHEMBL15391665 0.69 SMN1; SMN2 (0.60) KDM4EALDH1A1TSHRHIF1AEPAS1
SCHEMBL1163383 0.69 MET (0.45)
SCHEMBL12470416 0.69 BRD4 (0.43) ALDH1A1HSD17B10HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2673277-A1 [1, 2, 4]TRIAZOLO [4, 3 -B]PYRIDAZINE COMPOUNDS AS INHIBITORS OF THE C-MET TYROSINE KINASE Novartis AG (CH) 2013-12-18 EP disclosed
US-20130324526-A1 [1,2,4] TRIAZOLO [4,3-B] PYRIDAZINE COMPOUNDS AS INHIBITORS OF THE C-MET TYROSINE KINASE NOVARTIS AG (CH) 2013-12-05 US disclosed
WO-2012107500-A1 [1, 2, 4] TRIAZOLO [4, 3 -B] PYRIDAZINE COMPOUNDS AS INHIBITORS OF THE C-MET TYROSINE KINASE NOVARTIS AG (CH) 2012-08-16 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-20130324526-A1 [1,2,4] TRIAZOLO [4,3-B] PYRIDAZINE COMPOUNDS AS INHIBITORS OF THE C-MET TYROSINE KINASE MET, ERBB2, RET MCHR1 1608/4885HTR2C 392/4885BDKRB1 417/4885

“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.