Sugi Predict

Sugi Predict / Compounds / SCHEMBL5865059

SCHEMBL5865059

SCHEMBL5865059

N#Cc1cccc(/C=C/c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.55
▸ NFE2L2 Q16236 1/20 0.49
▸ FBP1 P09467 1/20 0.43
▸ GRM4 Q14833 2/20 0.42
▸ DYRK1A Q13627 1/20 0.39
▸ DYRK2 Q92630 1/20 0.39
▸ DYRK1B Q9Y463 1/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNB4 P30926 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ CHRNA7 P36544 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ P4HB P07237 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL5865061 1.00 CTSS (0.55) CTSSNFE2L2FBP1GRM4DYRK1A
SCHEMBL5865007 0.81 GRM4 (0.57) NFE2L2GRM4
SCHEMBL5865004 0.81 GRM4 (0.57) NFE2L2GRM4
SCHEMBL4712457 0.79 GRM4 (0.56) GRM4MEN1KMT2ALMNAMAPT
SCHEMBL4712459 0.79 GRM4 (0.56) GRM4MEN1KMT2ALMNAMAPT
SCHEMBL5865031 0.78 GRM4 (0.61) NFE2L2FBP1GRM4DYRK1ADYRK2
SCHEMBL5865155 0.78 RELA (0.45) FBP1GRM4MEN1KMT2ALMNA
SCHEMBL18002675 0.78 NFE2L2 (0.53) NFE2L2FBP1DYRK1ADYRK2DYRK1B
SCHEMBL4713331 0.78 ALDH1A1 (0.61) NFE2L2FBP1GRM4MEN1KMT2A
SCHEMBL4713335 0.78 ALDH1A1 (0.61) NFE2L2FBP1GRM4MEN1KMT2A

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-7034044-B2 Conjugated aromatic compounds with a pyridine substituent HOFFMANN-LA ROCHE INC. (US) 2006-04-25 — — US disclosed
US-20060058354-A1 Conjugated aromatic compounds with a pyridine substituent ALANINE ALEXANDER 2006-03-16 — — US disclosed
US-6951875-B2 Conjugated aromatic compounds with a pyridine substituent HOFFMANN-LA ROCHE INC. (US) 2005-10-04 — — US disclosed
US-20040068118-A1 Conjugated aromatic compounds with a pyridine substituent ALANINE ALEXANDER (FR) 2004-04-08 — — US disclosed
US-20030144525-A1 Conjugated aromatic compounds with a pyridine substituent HOFFMANN-LA ROCHE INC. 2003-07-31 — — US 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 (3 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-20040068118-A1 Conjugated aromatic compounds with a pyridine substituent GRIN2B, GRIN1, GRIN2C CTSS 3715/4885NFE2L2 1274/4885FBP1 3031/4885
US-20030144525-A1 Conjugated aromatic compounds with a pyridine substituent GRIN2B, GRIN1, GRIN2C CTSS 3715/4885NFE2L2 1274/4885FBP1 3031/4885
US-20060058354-A1 Conjugated aromatic compounds with a pyridine substituent GRIN2B, GRIN3A, GRIN2C CTSS 3885/4885NFE2L2 1407/4885FBP1 3436/4885

“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.