SCHEMBL4527591

SCHEMBL4527591

N#Cc1ccccc1COBOCc1ccccc1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
PLAU P00749 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP19A1 P11511 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
TSHR P16473 2/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
HTT P42858 1/20 0.39
MAOB P27338 1/20 0.39
MEN1 O00255 1/20 0.39
TACR1 P25103 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
SCHEMBL6668462 0.81 FFAR1 (0.46) FFAR1PLAUALDH1A1KDM4ECYP19A1
SCHEMBL1715776 0.78 IDO1 (0.50) FFAR1PLAUALDH1A1KDM4ERAB9A
SCHEMBL515210 0.78 ALDH1A1 (0.48) FFAR1PLAUALDH1A1KDM4ECYP19A1
SCHEMBL515209 0.78 FFAR1 (0.44) FFAR1PLAUALDH1A1KDM4ECYP19A1
SCHEMBL9363508 0.74 ALDH1A1 (0.47) FFAR1PLAUALDH1A1KDM4ECYP19A1
SCHEMBL3156172 0.74 FFAR1 (0.42) FFAR1PLAUALDH1A1KDM4ECYP19A1
SCHEMBL28384896 0.74 PLAU (0.44) FFAR1PLAUALDH1A1KDM4ECYP19A1
SCHEMBL17986342 0.74 RAB9A (0.47) FFAR1PLAUALDH1A1KDM4ECYP19A1
SCHEMBL9270379 0.74 FFAR1 (0.64) FFAR1PLAUALDH1A1KDM4EMAPT
SCHEMBL514413 0.74 FFAR1 (0.46) FFAR1PLAUALDH1A1KDM4ECYP19A1

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
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US disclosed
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 EP disclosed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 US disclosed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 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 (2 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-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors PTPN5, PTPN1, PTPN7 FFAR1 1768/4885PLAU 4721/4885ALDH1A1 1591/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 FFAR1 1768/4885PLAU 4721/4885ALDH1A1 1591/4885

“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.