SCHEMBL21567239

SCHEMBL21567239

FC(F)(F)c1ccccc1CNc1nc(Cl)nc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.62
PDE5A O76074 2/20 0.62
USP1 O94782 13/20 0.55
WDR48 Q8TAF3 13/20 0.55
ACP1 P24666 1/20 0.48
USP2 O75604 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
PIP4K2C Q8TBX8 1/20 0.48
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
EGFR P00533 1/20 0.47

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
SCHEMBL4864646 0.83 PDE5A (0.67) PDE5AUSP1WDR48USP2CYP1A2
SCHEMBL20399159 0.83 PIP4K2C (0.55) APPPDE5AUSP1WDR48ACP1
SCHEMBL21567245 0.83 YTHDC1 (0.47) APPPDE5AUSP1WDR48ACP1
SCHEMBL20400596 0.83 APP (0.56) APPPDE5AUSP1WDR48USP2
SCHEMBL12170181 0.82 KCNA5 (0.61) USP1WDR48
SCHEMBL20399129 0.80 PDE4A (0.44) EGFR
SCHEMBL9776789 0.80 APP (0.67) APPPDE5AUSP2CYP1A2CYP3A4
SCHEMBL21567280 0.79 BCHE (0.66) APPUSP1WDR48ACP1ALDH1A1
SCHEMBL30092930 0.79 BCHE (0.66) APPUSP1WDR48ACP1ALDH1A1
SCHEMBL3638414 0.79 APP (0.74) APPPDE5AUSP1WDR48ALDH1A1

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-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2023-11-02 US disclosed
US-20190345157-A1 COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-11-14 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-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS PWWP2B, WARS1, PNPO APP 3897/4885PDE5A 2823/4885USP1 3724/4885
US-20190345157-A1 COMPOUNDS ABCB11, LTC4S, AQP1 APP 2829/4885PDE5A 819/4885USP1 4455/4885

“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.