SCHEMBL1779102

SCHEMBL1779102

CCn1cc(-c2cc3c(C(=O)O)ccnc3[nH]2)c2cc(OC)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
TSHR P16473 1/20 0.55
RAB9A P51151 1/20 0.55
HSD17B10 Q99714 1/20 0.55
LCK P06239 2/20 0.49
IGF1R P08069 2/20 0.49
GSK3A P49840 2/20 0.49
GSK3B P49841 2/20 0.49
CDK7 P50613 2/20 0.49
LRRK2 Q5S007 2/20 0.49
AURKB Q96GD4 2/20 0.49
JAK2 O60674 1/20 0.49
BTK Q06187 1/20 0.49
LMNA P02545 1/20 0.47
KDM4C Q9H3R0 3/20 0.44
KDM5A P29375 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
CDK9 P50750 2/20 0.41

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
SCHEMBL1777230 0.87 IGF1R (0.66) LCKIGF1RGSK3AGSK3BCDK7
SCHEMBL1778234 0.86 SYK (0.47) KDM4EALDH1A1HPGDTSHRRAB9A
SCHEMBL12606367 0.81 GSK3B (0.74) KDM4EALDH1A1HPGDTSHRRAB9A
SCHEMBL12606257 0.79 IGF1R (0.58) KDM4EALDH1A1HPGDTSHRRAB9A
Potassium Ion SCHEMBL7153963 0.77 IGF1R (0.49) KDM4ELCKIGF1RGSK3AGSK3B
SCHEMBL12606309 0.77 IGF1R (0.62) LCKIGF1RGSK3AGSK3BCDK7
SCHEMBL1777482 0.77 LMNA (0.52) KDM4EALDH1A1RAB9AHSD17B10GSK3B
SCHEMBL12606274 0.77 IGF1R (0.56) KDM4EALDH1A1TSHRLCKIGF1R
SCHEMBL1776936 0.76 IGF1R (0.58) LCKIGF1RGSK3AGSK3BCDK7
SCHEMBL1777620 0.76 IGF1R (0.58) KDM4EALDH1A1HSD17B10LCKIGF1R

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2005-12-01 US claimed
US-6897207-B2 Azaindoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US claimed
US-20040053931-A1 Azaindoles AVENTIS PHARMACEUTICALS INC. 2004-03-18 US claimed
EP-1397360-A1 AZAINDOLES Aventis Pharma Limited (GB) 2004-03-17 EP claimed
WO-2003000688-A1 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2003-01-03 WO claimed
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
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
US-20040053931-A1 Azaindoles AVENTIS PHARMACEUTICALS INC. 2004-03-18 US disclosed
EP-1397360-A1 AZAINDOLES Aventis Pharma Limited (GB) 2004-03-17 EP disclosed
WO-2003000688-A1 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2003-01-03 WO 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-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 KDM4E 709/4885ALDH1A1 939/4885HPGD 1109/4885
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.