SCHEMBL2993892

SCHEMBL2993892

CCOC(=O)c1[nH]c2ccc(C(=O)Nc3cccnc3)cc2c1CCCN

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.49
MAPKAPK2 P49137 4/20 0.49
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 3/20 0.47
MAP2K1 Q02750 1/20 0.47
NPC1 O15118 3/20 0.47
TRPV1 Q8NER1 7/20 0.47
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL2997883 0.91 NPC1 (0.49) MAPKAPK2MAPTALDH1A1MAPK1MAP2K1
SCHEMBL1345394 0.88 MAPKAPK2 (0.52) MAPKAPK2MAPK1MAP2K1NPC1TRPV1
SCHEMBL1345952 0.79 MAPT (0.50) HTR6MAPKAPK2MAPTNPC1RAB9A
SCHEMBL1343706 0.79 MAPKAPK2 (0.44) MAPKAPK2MAPK1MAP2K1NPC1LMNA
SCHEMBL1345355 0.77 MAPT (0.54) MAPKAPK2MAPTALDH1A1KDM4E
SCHEMBL1345168 0.77 POLB (0.56) MAPKAPK2MAPTNPC1KDM4ERAB9A
Acetic Acid SCHEMBL1345951 0.77 MAPT (0.54) MAPKAPK2MAPTALDH1A1KDM4EHSD17B10
SCHEMBL1345627 0.75 MAPT (0.57) MAPKAPK2MAPTALDH1A1NPC1KDM4E
SCHEMBL1345624 0.74 MAPT (0.47) HTR6MAPTALDH1A1TSHRKDM4E
SCHEMBL1346632 0.74 KMT2A (0.56) MAPTALDH1A1NPC1TRPV1KDM4E

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
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 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-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 HTR6 4219/4885MAPKAPK2 1/4885MAPT 1938/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 HTR6 4219/4885MAPKAPK2 1/4885MAPT 1938/4885

“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.