SCHEMBL6715894

SCHEMBL6715894

NC(=O)Cc1ccc(-c2ccncc2)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLQ O75417 3/20 0.47
RXRA P19793 5/20 0.46
RXRB P28702 5/20 0.46
RXRG P48443 5/20 0.46
CHUK O15111 1/20 0.43
KIF11 P52732 1/20 0.42
CYP3A4 P08684 1/20 0.42
AAK1 Q2M2I8 1/20 0.42
ICMT O60725 1/20 0.41
CAPN1 P07384 1/20 0.40
MKNK2 Q9HBH9 2/20 0.39
CCNC P24863 2/20 0.38
CDK8 P49336 2/20 0.38
CDC7 O00311 3/20 0.38
ROCK2 O75116 2/20 0.38
MAP4K4 O95819 2/20 0.38
GSK3B P49841 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
CDK9 P50750 1/20 0.37
CYP17A1 P05093 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
SCHEMBL12875598 0.80 KIF11 (0.48) POLQRXRARXRBRXRGKIF11
SCHEMBL12875494 0.80 KIF11 (0.48) POLQRXRARXRBRXRGKIF11
Hydrochloric Acid SCHEMBL1164597 0.79 KIF11 (0.47) POLQRXRARXRBRXRGKIF11
SCHEMBL6715900 0.79 POLQ (0.46) POLQ
SCHEMBL4448921 0.78 CHUK (0.58) CHUKKIF11CAPN1MKNK2CCNC
Hydrochloric Acid SCHEMBL4439147 0.77 CHUK (0.56) CHUKKIF11CAPN1MKNK2CCNC
SCHEMBL14562998 0.75 POLQ (0.56) POLQCYP3A4ICMT
SCHEMBL6717126 0.74 KDM1A (0.41) POLQRXRARXRBRXRGICMT
SCHEMBL2924757 0.72 KIF11 (0.53) KIF11CYP3A4AAK1MAP4K4CYP17A1
SCHEMBL28103661 0.71 CYP17A1 (0.56) CHUKCYP3A4CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040152740-A1 Arylglycine derivatives for use as glycine transport inhibitors NPS ALLELIX CORPORATION (CA) 2004-08-05 US disclosed
WO-2004022534-A1 ARYLGLYCINE DERIVATIVES FOR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 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-20040152740-A1 Arylglycine derivatives for use as glycine transport inhibitors SLC1A2, SLC6A7, SLC1A1 POLQ 4449/4885RXRA 4491/4885RXRB 4270/4885

“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.