SCHEMBL3386608

SCHEMBL3386608

NC(=O)c1cc(-c2ccncc2)ccc1F

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHUK O15111 4/20 0.68
IKBKB O14920 4/20 0.58
CDC7 O00311 8/20 0.52
CDK9 P50750 1/20 0.52
CSF1R P07333 3/20 0.51
ROCK2 O75116 2/20 0.50
MAP4K4 O95819 2/20 0.50
GSK3B P49841 2/20 0.50
CLK4 Q9HAZ1 2/20 0.50
IKBKE Q14164 2/20 0.50
PIM1 P11309 1/20 0.50
CDK2 P24941 1/20 0.50
PKMYT1 Q99640 1/20 0.50
MKNK2 Q9HBH9 1/20 0.49
CAPN1 P07384 2/20 0.47
CASP1 P29466 1/20 0.46
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46

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
SCHEMBL15555830 0.82 IKBKB (0.66) CHUKIKBKBIKBKEPKMYT1MKNK2
SCHEMBL17067114 0.81 MKNK1 (0.67) MKNK2
SCHEMBL5302307 0.81 CHUK (1.00) CHUKIKBKBCDC7CDK9ROCK2
SCHEMBL5306999 0.81 CHUK (0.70) CHUKIKBKBCDC7CDK9ROCK2
SCHEMBL3382180 0.79 CHUK (0.68) CHUKIKBKBCDC7CDK9CSF1R
SCHEMBL3342702 0.79 CHUK (0.68) CHUKIKBKBCDC7CDK9CSF1R
SCHEMBL1198770 0.78 KMT2A (0.51) CHUKIKBKBCDC7ROCK2MAP4K4
SCHEMBL12352001 0.76 MAP4K4 (0.56) IKBKBCDC7ROCK2MAP4K4GSK3B
SCHEMBL28163150 0.76 MKNK2 (0.68) CHUKIKBKBCDC7CDK9CSF1R
SCHEMBL4448921 0.76 CHUK (0.58) CHUKIKBKBCDC7CDK9ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963268-B1 DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB AF NEUROSEARCH SWEDEN AB (DK) 2010-12-01 EP disclosed
US-20080269286-A1 Disubstituted Phenylpiperidines as Modulators of Cortical Catecholaminergic Neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2008-10-30 US disclosed
EP-1963268-A1 DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION Neurosearch Sweden AB (SE) 2008-09-03 EP disclosed
WO-2007065655-A1 DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NEUROSEARCH SWEDEN AB (SE) 2007-06-14 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-20080269286-A1 Disubstituted Phenylpiperidines as Modulators of Cortical Catecholaminergic Neurotransmission SLC6A2, SLC18A2, PNMT CHUK 2477/4885IKBKB 3557/4885CDC7 3242/4885

“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.