SCHEMBL6495101

SCHEMBL6495101

O=C(O)N(CCO)Cc1cncc(-c2cccc(F)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
ROCK2 O75116 1/20 0.41
PRMT6 Q96LA8 2/20 0.39
KDR P35968 2/20 0.39
EGLN1 Q9GZT9 1/20 0.39
DCLRE1B Q9H816 1/20 0.39
CYP11B2 P19099 1/20 0.39
DYRK1A Q13627 3/20 0.38
CLK2 P49760 2/20 0.38
CLK3 P49761 2/20 0.38
FFAR1 O14842 1/20 0.38
CHEK2 O96017 2/20 0.38
LPAR1 Q92633 1/20 0.38
FDPS P14324 1/20 0.38
PLK4 O00444 1/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
CDK1 P06493 1/20 0.37
PIM1 P11309 1/20 0.37
CDK2 P24941 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
SCHEMBL20470517 0.76 CYP11B2 (0.55) CYP11B2CHEK2FDPS
SCHEMBL6505188 0.72 POLB (0.41) PKML3MBTL1
SCHEMBL268819 0.71 L3MBTL1 (0.50) L3MBTL1
SCHEMBL8716866 0.71 KMT2A (0.56) PKML3MBTL1
SCHEMBL766565 0.69 L3MBTL1 (0.58) L3MBTL1
SCHEMBL25544943 0.69 HCAR2 (0.56) KDRDCLRE1BCYP11B2DYRK1ACLK2
SCHEMBL31475536 0.69 HCAR2 (0.56) KDRDCLRE1BCYP11B2DYRK1ACLK2
SCHEMBL1336193 0.68 CYP2C9 (0.48) L3MBTL1
SCHEMBL5429719 0.68 HPGD (0.49) KDRCYP11B2DYRK1ACLK2CHEK2
SCHEMBL24038372 0.68 CYP11B2 (0.60) KDRCYP11B2DYRK1ACLK2

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
US-6960599-B2 Heterocyclic aminoalkylpyridine derivatives as psychopharmaceuticals MERCK PATENT GMBH (DE) 2005-11-01 US disclosed
US-20040019044-A1 Heterocyclic aminoalkyl pyridine derivatives as psychopharmaceuticals MERCK PATENT GMBH (DE) 2004-01-29 US disclosed
CN-1437595-A Heterocyclic aminoalkyl pyridine derivatives as psychopharmaceuticals MERCK PATENT GMBH (DE) 2003-08-20 CN 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-20040019044-A1 Heterocyclic aminoalkyl pyridine derivatives as psychopharmaceuticals HTR4, CNR1, CNR2 PKM 2527/4885ROCK2 3600/4885PRMT6 3708/4885

“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.