SCHEMBL1777905

SCHEMBL1777905

COc1ccc2c(c1)cc(-c1cc3c(C(=O)O)ccnc3[nH]1)n2C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
KDM4C Q9H3R0 5/20 0.44
KDM5A P29375 3/20 0.41
KDM5B Q9UGL1 2/20 0.41
JAK2 O60674 1/20 0.40
LCK P06239 1/20 0.40
IGF1R P08069 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CDK7 P50613 1/20 0.40
BTK Q06187 1/20 0.40
LRRK2 Q5S007 1/20 0.40
AURKB Q96GD4 1/20 0.40
POLB P06746 3/20 0.40

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
SCHEMBL1779368 0.92 L3MBTL1 (0.51) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL1779027 0.90 L3MBTL1 (0.44) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL1778255 0.86 KDR (0.47) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL1778752 0.84 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL1780157 0.84 SYK (0.45) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL1779704 0.83 GSK3A (0.43) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL1779605 0.80 PIM1 (0.42) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL1777230 0.80 IGF1R (0.66) LMNAKDM4CKDM5AKDM5BJAK2
SCHEMBL1777680 0.77 RIPK1 (0.60) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL1779102 0.75 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10LMNA

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-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 US disclosed
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 US disclosed
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 US disclosed
EP-2233486-A1 Azaindoles Aventis Pharma Limited (GB) 2010-09-29 EP disclosed
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2005-12-01 US disclosed
US-6897207-B2 Azaindoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 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-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 KDM4E 1826/4885ALDH1A1 3053/4885HPGD 1631/4885

“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.