SCHEMBL20838802

SCHEMBL20838802

CN(C)/C=N/c1ccc(-c2ccc(C=O)n2C)cc1C#N

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
AR P10275 4/20 0.32
PGR P06401 5/20 0.31
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
MAPK1 P28482 2/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL29971850 1.00 MAPT (0.37) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL14191690 0.79 GAA (0.44) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL4014542 0.79 GAA (0.44) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL4014545 0.79 GAA (0.44) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL14026154 0.73 MAOB (0.40) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL21357740 0.72 AR (0.42) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL13811406 0.72 GAA (0.38) MAPTALDH1A1KMT2AGAALMNA
SCHEMBL1825179 0.71 GAA (0.38) MAPTALDH1A1GAASMN1; SMN2
SCHEMBL1825181 0.71 GAA (0.38) MAPTALDH1A1GAASMN1; SMN2
SCHEMBL14191688 0.70 CYP3A4 (0.49) MAPTALDH1A1KMT2AGAALMNA

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-10828305-B2 Nitrogenous heterocyclic compound, preparation method, intermediate, composition and use SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2020-11-10 US disclosed
US-20190091226-A1 NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND USE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2019-03-28 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-20190091226-A1 NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND USE ERBB2, EGFR, ERBB4 MAPT 3547/4885ALDH1A1 3908/4885MEN1 3114/4885
US-10828305-B2 Nitrogenous heterocyclic compound, preparation method, intermediate, composition and use ERBB2, EGFR, ERBB4 MAPT 3547/4885ALDH1A1 3908/4885MEN1 3114/4885

“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.