SCHEMBL6140993

SCHEMBL6140993

c1ccn(-c2ccncn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 1/20 0.49
HSP90AA1 P07900 1/20 0.39
CDC7 O00311 1/20 0.38
SORD Q00796 1/20 0.38
CYP17A1 P05093 1/20 0.36
MAPT P10636 3/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
MAPK1 P28482 1/20 0.33
DRD4 P21917 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL31748642 0.81 RPS6KA5 (0.41) RPS6KA5HSP90AA1CDC7SORDCYP17A1
SCHEMBL8655805 0.78 CYP3A4 (0.47) RPS6KA5MAPTALDH1A1MAPK1CYP1A2
SCHEMBL12859696 0.74 RPS6KA5 (0.39) RPS6KA5HSP90AA1CDC7SORDCYP17A1
SCHEMBL28891011 0.72 RPS6KA5 (0.38) RPS6KA5HSP90AA1CDC7SORDCYP17A1
SCHEMBL14760276 0.72 KDM4E (0.52) RPS6KA5MAPTMEN1ALDH1A1KMT2A
SCHEMBL1437298 0.71 PLD1 (0.50) MEN1ALDH1A1KMT2AMAPK1CYP1A2
SCHEMBL30569109 0.71 PLD1 (0.50) MEN1ALDH1A1KMT2AMAPK1CYP1A2
SCHEMBL14935907 0.71 KDM4E (0.50) RPS6KA5MAPTMEN1ALDH1A1KMT2A
SCHEMBL9767811 0.70
Ammonia Solution, Strong SCHEMBL28277848 0.70 PLD1 (0.48) MEN1ALDH1A1KMT2AMAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3068758-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE The Wistar Institute Of Anatomy And Biology (US) 2016-09-21 EP disclosed
WO-2015073864-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE THE WISAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2015-05-21 WO disclosed
US-6919347-B2 Bradykinin B1 receptor antagonists PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2005-07-19 US disclosed
US-20030229092-A1 Antidiabetic agents; antiinflammatory agents; analgesics; antiallergens PHARMACOPEIA, INC. (US) 2003-12-11 US disclosed
EP-1196411-B1 BRADYKININ B1 RECEPTOR ANTAGONISTS PHARMACOPEIA INC (US) 2003-09-17 EP disclosed
EP-1196411-A1 BRADYKININ B1 RECEPTOR ANTAGONISTS PHARMACOPEIA, INC. (US) 2002-04-17 EP disclosed
WO-2001005783-A1 BRADYKININ B1 RECEPTOR ANTAGONISTS PHARMACOPEIA, INC. (US) 2001-01-25 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 (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-20030229092-A1 Antidiabetic agents; antiinflammatory agents; analgesics; antiallergens BDKRB1, BDKRB2, HRH2 RPS6KA5 159/4885HSP90AA1 731/4885CDC7 2587/4885

“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.