SCHEMBL244644

SCHEMBL244644

N#CN=C1NCCN1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
MAPT P10636 1/20 0.43
SIGMAR1 Q99720 2/20 0.41
TSHR P16473 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
OPRM1 P35372 1/20 0.37
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
CHRNA7 P36544 1/20 0.36

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
SCHEMBL244643 1.00 CYP2C9 (0.43) CYP2C9CYP2C19MAPTSIGMAR1TSHR
SCHEMBL10390781 0.84 CHRNB2 (0.47) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL10390351 0.81 DDB1 (0.46) CYP2C19MAPTSIGMAR1TSHRDDB1
SCHEMBL10390354 0.81 DDB1 (0.46) CYP2C19MAPTSIGMAR1TSHRDDB1
SCHEMBL5833216 0.79 CHRNA7 (0.61) ALDH1A1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL5833213 0.79 CHRNA7 (0.61) ALDH1A1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL19975726 0.79 CHRNA7 (0.61) ALDH1A1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL2584868 0.78 CYP2C19 (0.45) CYP2C9CYP2C19MAPTSIGMAR1TSHR
SCHEMBL5833965 0.76 MEN1 (0.44) POLBALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5833966 0.76 MEN1 (0.44) POLBALDH1A1KMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293768-B2 Organic compounds NOVARTIS AG (CH) 2012-10-23 US disclosed
US-20120004164-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-05 US disclosed
US-8063084-B2 Heterocyclic compounds suitable for the treatment of diseases related to elevated lipid levels NOVARTIS AG (CH) 2011-11-22 US disclosed
US-20100233116-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2010-09-16 US disclosed
EP-2054408-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL Novartis Ag (CH) 2009-05-06 EP disclosed
WO-2008127349-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL NOVARTIS AG (CH) 2008-10-23 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-20100233116-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 CYP2C9 608/4885CYP2C19 1135/4885MAPT 3107/4885
US-20120004164-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 CYP2C9 213/4885CYP2C19 436/4885MAPT 2947/4885

“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.