SCHEMBL20424319

SCHEMBL20424319

N#Cc1ccc(N)c2c1OCC2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PRKACA P17612 2/20 0.33
PRKACG P22612 2/20 0.33
PRKACB P22694 2/20 0.33
XDH P47989 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL7124012 0.82
SCHEMBL7124015 0.81 MAPKAPK2 (0.32) LMNAMAPTPRKACAPRKACGPRKACB
SCHEMBL20424920 0.78 XDH (0.32) XDH
SCHEMBL31467831 0.78 TRPV4 (0.36) XDH
SCHEMBL24819189 0.73 MAPT (0.39) LMNAMAPTCYP1A2CYP3A4ALDH1A1
SCHEMBL4605739 0.73 LMNA (0.36) LMNAMAPTALDH1A1
SCHEMBL21603450 0.73 LMNA (0.36) LMNAMAPTCYP3A4ALDH1A1
SCHEMBL31355576 0.73 LMNA (0.36) LMNAMAPTALDH1A1
SCHEMBL24104577 0.73 LMNA (0.36) LMNAMAPT
SCHEMBL31115520 0.73 LMNA (0.36) LMNAMAPT

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
CN-113880866-B Aza-tetrahydronaphthyridine compound, preparation method thereof, pharmaceutical composition and application thereof 上海维申医药有限公司 2022-09-27 CN disclosed
CN-113880866-A Aza-tetrahydronaphthyridine compound, preparation method thereof, pharmaceutical composition and application thereof 上海维申医药有限公司 2022-01-04 CN disclosed
US-10961213-B2 Process for preparation of benzylic amides BASF SE (DE) 2021-03-30 US disclosed
WO-2018137959-A1 PROCESS FOR PREPARATION OF BENZYLIC AMIDES BASF SE (DE) 2018-08-02 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 (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-10961213-B2 Process for preparation of benzylic amides CYP2F1, BBOX1, F12 LMNA 1118/4885MAPT 4473/4885PRKACA 2730/4885

“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.