SCHEMBL4944882

SCHEMBL4944882

O=C(Nc1cc(CCl)ccn1)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.47
DYRK1A Q13627 6/20 0.47
KCNH2 Q12809 1/20 0.47
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 1/20 0.44
GPR52 Q9Y2T5 1/20 0.44
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PIK3C3 Q8NEB9 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL24883483 0.80 GSK3B (0.49) GSK3BDYRK1AKCNH2CYP2C9CYP2C19
SCHEMBL23410473 0.80 MAPT (0.56) GSK3BDYRK1AKCNH2CYP2C9CYP2C19
SCHEMBL22511353 0.80 RAB9A (0.59) GSK3BDYRK1AKCNH2CYP2C9CYP2C19
SCHEMBL23445928 0.80 PIK3C3 (0.50) GSK3BDYRK1AKCNH2CYP2C9CYP2C19
SCHEMBL17187727 0.75 CYP2C9 (0.60) CYP2C9CYP2C19GAASMN1; SMN2KDM4E
SCHEMBL3869101 0.75 KDM4E (0.48) GAASMN1; SMN2KDM4EHSD17B10MAPT
SCHEMBL9934078 0.74 NR3C2 (0.51) RAB9AMEN1KMT2A
SCHEMBL4309482 0.73 L3MBTL1 (0.50) GSK3BPIK3C3
SCHEMBL4449026 0.73 NR3C2 (0.66)
SCHEMBL24942338 0.72 ACVRL1 (0.57) GSK3BPIK3C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents BAYER PHARMACEUTICALS CORPORATION (US) 2008-11-27 US disclosed
US-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents BAYER PHARMACEUTICALS CORPORATION (US) 2008-11-27 US disclosed
US-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents BAYER PHARMACEUTICALS CORPORATION (US) 2008-11-27 US disclosed
EP-1765811-A2 2-AMINOARYLCARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS Bayer Pharmaceuticals Corporation (US) 2007-03-28 EP disclosed
WO-2006002383-A2 2-AMINOARYLCARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS BAYER PHARMACEUTICALS CORPORATION (US) 2006-01-05 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-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents ABCC3, HCCS, ABCC2 GSK3B 3039/4885DYRK1A 4553/4885KCNH2 1007/4885

“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.