SCHEMBL21169826

SCHEMBL21169826

N=C(CO)Cc1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP2D6 P10635 2/20 0.44
HSD17B10 Q99714 1/20 0.44
LOXL2 Q9Y4K0 2/20 0.41
CYP19A1 P11511 7/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
FDPS P14324 1/20 0.34
PRKCI P41743 1/20 0.34

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
SCHEMBL10607972 0.76 CES1 (0.48) ALDH1A1
SCHEMBL21450873 0.74 ALDH1A1 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL2704302 0.74 LOXL2 (0.48) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL6471026 0.73 CYP19A1 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL21169845 0.73 CYP3A4 (0.37) CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL17984659 0.73 LOXL2 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL9182637 0.71 ALDH1A1 (0.48) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL4514923 0.71 ALDH1A1 (0.43) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL5943952 0.70 CYP19A1 (0.48) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
Pyridine 4-Methanol SCHEMBL102606 0.69

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-10654818-B2 Furane derivatives as inhibitors of ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-05-19 US disclosed
US-20190218196-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-07-18 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 (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-20190218196-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 ATAD2, ATAD2B, TAF1L CYP1A2 1559/4885CYP3A4 2947/4885CYP2C9 3177/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L CYP1A2 1559/4885CYP3A4 2947/4885CYP2C9 3177/4885

“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.