SCHEMBL2993501

SCHEMBL2993501

NCN1CCc2c([nH]c3ccc(C(=O)Nc4cnc5ccccc5c4)cc23)C1=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
RPS6KA3 P51812 2/20 0.46
RPS6KA2 Q15349 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MITF O75030 1/20 0.46
XBP1 P17861 1/20 0.46
PAX8 Q06710 1/20 0.46
KLF5 Q13887 1/20 0.46
MAPKAPK2 P49137 2/20 0.45
TRPV1 Q8NER1 9/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL2994985 0.82 KDR (0.52) KDRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3001660 0.78 MAPKAPK2 (0.71) KDRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2996330 0.73 MAPKAPK2 (0.58) KDRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2996321 0.73 MAPKAPK2 (0.50) KDRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3001283 0.72 MAPKAPK2 (0.73) MAPKAPK2
SCHEMBL846669 0.68 TRPV1 (0.58) KDRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4935881 0.68 KDR (0.64) KDRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL846408 0.67 KDR (0.64) KDRNPC1RAB9ASMN1; SMN2RPS6KA3
SCHEMBL845978 0.67 KDR (0.79) KDRNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL847442 0.67 KDR (0.66) KDRNPC1RAB9ASMN1; SMN2MAPT

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-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 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-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 KDR 2519/4885NPC1 4214/4885RAB9A 1982/4885

“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.