SCHEMBL6838857

SCHEMBL6838857

CCOC(=O)/C=C(/NC)c1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
MAPT P10636 5/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NAMPT P43490 4/20 0.39
MEN1 O00255 1/20 0.39
CDC7 O00311 2/20 0.39
DBF4 Q9UBU7 2/20 0.39
GAA P10253 3/20 0.39
MPO P05164 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 2/20 0.38

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
SCHEMBL6822490 1.00 KMT2A (0.42) KMT2ANPSR1MAPTALDH1A1KDM4E
SCHEMBL629506 0.84 MAPT (0.48) KMT2ANPSR1MAPTALDH1A1SMN1; SMN2
SCHEMBL629505 0.84 MAPT (0.48) KMT2ANPSR1MAPTALDH1A1SMN1; SMN2
SCHEMBL1273130 0.84 MAPT (0.48) KMT2ANPSR1MAPTALDH1A1SMN1; SMN2
SCHEMBL13477 0.82 MAPT (0.45) KMT2ANPSR1MAPTALDH1A1HTT
SCHEMBL5112282 0.80 KMT2A (0.45) KMT2ANPSR1MAPTALDH1A1KDM4E
SCHEMBL30930822 0.80 KMT2A (0.45) KMT2ANPSR1MAPTALDH1A1KDM4E
SCHEMBL5112286 0.80 KMT2A (0.45) KMT2ANPSR1MAPTALDH1A1KDM4E
SCHEMBL2891426 0.78 KMT2A (0.44) KMT2ANPSR1MAPTALDH1A1KDM4E
SCHEMBL2891423 0.78 KMT2A (0.44) KMT2ANPSR1MAPTALDH1A1KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040214833-A1 Tricyclic heteroaromatic compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-10-28 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 (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-20040214833-A1 Tricyclic heteroaromatic compounds CYP1A1, SULT2A1, CYP1B1 KMT2A 1489/4885NPSR1 78/4885MAPT 1759/4885

“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.