SCHEMBL16626845

SCHEMBL16626845

Cc1ncc2c(n1)N(Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)C(=O)CC2

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.73
TBXA2R P21731 1/20 0.73
AGTR2 P50052 1/20 0.73
PDE3A Q14432 1/20 0.73
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
ALOX15 P16050 1/20 0.59
TSHR P16473 1/20 0.59
MAPK1 P28482 1/20 0.59
CYP2C19 P33261 1/20 0.59
HSD17B10 Q99714 1/20 0.59

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
Tasosartan SCHEMBL49627 0.84 AGTR1 (1.00) AGTR1TBXA2RAGTR2PDE3A
SCHEMBL13262874 0.69 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL15336224 0.68 AGTR1 (0.72) AGTR1AGTR2
SCHEMBL7429405 0.68 AGTR1 (0.61) AGTR1TBXA2RAGTR2PDE3A
SCHEMBL14255053 0.68 AGTR1 (0.67) AGTR1AGTR2
SCHEMBL8293198 0.67 TP53 (0.71) AGTR1AGTR2PDE3A
Tasosartan SCHEMBL49626 0.67 AGTR1 (0.71) AGTR1TBXA2RAGTR2PDE3A
SCHEMBL29486800 0.67 AGTR1 (1.00) AGTR1AGTR2
SCHEMBL17015144 0.67 AGTR1 (0.90) AGTR1AGTR2PDE3ACYP3A4MAPK1
SCHEMBL12879309 0.66 AGTR1 (0.70) AGTR1AGTR2PDE3ACYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150098993-A1 COMPOSITIONS, PROCESS OF PREPARATION OF SAID COMPOSITIONS AND METHOD OF TREATING INFLAMMATORY DISEASES CELLWORKS GROUP, INC. 2015-04-09 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-20150098993-A1 COMPOSITIONS, PROCESS OF PREPARATION OF SAID COMPOSITIONS AND METHOD OF TREATING INFLAMMATORY DISEASES TNF, C5, IL5 AGTR1 2464/4885TBXA2R 499/4885AGTR2 2567/4885

“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.