SCHEMBL2994985

SCHEMBL2994985

O=C(Nc1cnc2ccccc2c1)c1ccc2[nH]c3c(c2c1)CCCC3=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.52
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPT P10636 2/20 0.51
MITF O75030 1/20 0.51
XBP1 P17861 1/20 0.51
PAX8 Q06710 1/20 0.51
KLF5 Q13887 1/20 0.51
MAPKAPK2 P49137 1/20 0.50
TRPV1 Q8NER1 6/20 0.49
ALDH1A1 P00352 1/20 0.49
RPS6KA3 P51812 2/20 0.48
RPS6KA2 Q15349 1/20 0.48
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL3001693 0.84 MAPKAPK2 (0.56) SMN1; SMN2KDM4EMAPTMAPKAPK2ALDH1A1
SCHEMBL2993501 0.82 KDR (0.46) KDRNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2998498 0.81 MAPKAPK2 (0.75) NPC1SMN1; SMN2KDM4EMAPTMAPKAPK2
SCHEMBL3001660 0.78 MAPKAPK2 (0.71) KDRNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3001283 0.76 MAPKAPK2 (0.73) MAPKAPK2
SCHEMBL2996330 0.76 MAPKAPK2 (0.58) KDRNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2996321 0.76 MAPKAPK2 (0.50) KDRNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1576907 0.75 KDR (0.66) KDRNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL13248464 0.75 MAPKAPK2 (0.61) SMN1; SMN2KDM4EMAPTMAPKAPK2ALDH1A1
SCHEMBL2999368 0.75 MAPKAPK2 (0.62) NPC1RAB9ASMN1; SMN2KDM4EMAPT

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 6 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 claimed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 US claimed
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 KDR 2519/4885NPC1 4214/4885RAB9A 1982/4885
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.