SCHEMBL3098950

SCHEMBL3098950

COc1cc2c(nc1OC)c(-c1cc3cccnc3n1S(=O)(=O)c1ccc(C)cc1)cn2CCN1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
USP2 O75604 1/20 0.39
MKNK2 Q9HBH9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GSK3B P49841 2/20 0.36
KDR P35968 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
CNR1 P21554 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
CREBBP Q92793 1/20 0.34
HTR6 P50406 1/20 0.34

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
SCHEMBL2984453 0.93 HTR6 (0.36) L3MBTL1ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL1780587 0.90 KMT2A (0.40) KMT2ANPC1USP2MKNK2L3MBTL1
SCHEMBL2991179 0.88 NPC1 (0.36) KMT2ANPC1USP2MKNK2GSK3B
SCHEMBL2985976 0.88 MKNK2 (0.37) KMT2ANPC1USP2MKNK2L3MBTL1
SCHEMBL2992479 0.88 L3MBTL1 (0.39) KMT2AL3MBTL1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL3000507 0.88 L3MBTL1 (0.39) KMT2AL3MBTL1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL13093819 0.85 L3MBTL1 (0.42) KMT2AL3MBTL1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL13093823 0.84 MKNK2 (0.42) NPC1MKNK2L3MBTL1GSK3BKDR
SCHEMBL2989479 0.84 KIT (0.36) KMT2ANPC1USP2MKNK2GSK3B
SCHEMBL1748711 0.82 KMT2A (0.40) KMT2ANPC1USP2KDRALDH1A1

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-20100256141-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2010-10-07 US disclosed
US-7786114-B2 Bis-azaindole derivatives, preparation and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2010-08-31 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-20100256141-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS BRSK2, KSR2, CDK2 KMT2A 851/4885NPC1 3917/4885USP2 2257/4885

“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.