SCHEMBL5467372

SCHEMBL5467372

O=C(Nc1nccc(-c2ccccc2F)n1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.52
ADORA1 P30542 3/20 0.50
ATR Q13535 1/20 0.48
CYP1A2 P05177 3/20 0.48
CYP3A4 P08684 3/20 0.48
CYP2C19 P33261 2/20 0.48
GAA P10253 1/20 0.48
ADORA2A P29274 3/20 0.47
ADORA3 P0DMS8 2/20 0.47
ADORA2B P29275 1/20 0.47
PRKD3 O94806 1/20 0.46
ABL1 P00519 1/20 0.46
PRKCG P05129 1/20 0.46
PRKCB P05771 1/20 0.46
PDGFRB P09619 1/20 0.46
BCR P11274 1/20 0.46
SRC P12931 1/20 0.46
PDGFRA P16234 1/20 0.46
PRKCA P17252 1/20 0.46
PRKCH P24723 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
SCHEMBL5476979 0.87 KMO (0.57) CDC7ADORA1CYP1A2CYP3A4CYP2C19
SCHEMBL5478064 0.84 KMT2A (0.52) CDC7ADORA1ATRCYP1A2CYP3A4
SCHEMBL5470134 0.83 CYP1A2 (0.51) CDC7ADORA1CYP1A2CYP3A4CYP2C19
SCHEMBL5470852 0.81 ADORA1 (0.69) CDC7ADORA1ADORA2AADORA3PRKD3
SCHEMBL5471290 0.81 RAB9A (0.68) CYP1A2CYP3A4CYP2C19GAAABL1
SCHEMBL5472823 0.81 ADORA1 (0.57) CDC7ADORA1GAAPRKD3ABL1
SCHEMBL5464944 0.80 F2 (0.60) CDC7ADORA1CYP1A2CYP3A4CYP2C19
SCHEMBL5462667 0.79 GAA (0.61) ADORA1GAAADORA2AADORA3ADORA2B
SCHEMBL5460107 0.76 ADORA2A (0.50) ADORA1ATRGAAADORA2AADORA3
SCHEMBL5473232 0.76 DYRK1A (0.63) ADORA1CYP1A2CYP3A4CYP2C19ADORA2A

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-20070099938-A1 Antistress drug and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-03 US disclosed
EP-1679309-A1 ANTISTRESS DRUG AND MEDICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP 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-20070099938-A1 Antistress drug and medical use thereof NPSR1, MC2R, SRR CDC7 4293/4885ADORA1 134/4885ATR 2894/4885

“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.