SCHEMBL3612299

SCHEMBL3612299

CC(C)(C)NC(=O)c1cn2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C(F)(F)F)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 12/20 0.44
AURKA O14965 11/20 0.44
KDR P35968 5/20 0.44
GSK3A P49840 5/20 0.44
GSK3B P49841 5/20 0.44
FLT3 P36888 5/20 0.44
STK3 Q13188 4/20 0.44
RPS6KA3 P51812 4/20 0.44
PIM1 P11309 3/20 0.44
MARK3 P27448 3/20 0.44
NTRK1 P04629 3/20 0.44
MAPK9 P45984 3/20 0.44
CDK1 P06493 3/20 0.44
CDK8 P49336 3/20 0.44
LCK P06239 2/20 0.44
FYN P06241 2/20 0.44
LYN P07948 2/20 0.44
BLK P51451 2/20 0.44
ROCK1 Q13464 2/20 0.44
ERBB4 Q15303 2/20 0.44

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
SCHEMBL3621936 0.93 AURKB (0.45) AURKBAURKAKDRGSK3AGSK3B
SCHEMBL3603779 0.91 AURKA (0.43) AURKBAURKAKDRGSK3AGSK3B
SCHEMBL3618291 0.91 AURKA (0.44) AURKBAURKAKDRGSK3AGSK3B
SCHEMBL276193 0.90 AURKB (0.45) AURKBAURKAKDRGSK3AGSK3B
SCHEMBL15221936 0.89 AURKB (0.48) AURKBAURKAKDRGSK3AGSK3B
SCHEMBL275501 0.89 AURKB (0.44) AURKBAURKAKDRGSK3AGSK3B
SCHEMBL3608748 0.89 AURKB (0.42) AURKBAURKAKDRGSK3AGSK3B
SCHEMBL3614752 0.88 AURKA (0.43) AURKBAURKAKDRGSK3AGSK3B
SCHEMBL3619135 0.88 AURKB (0.45) AURKBAURKAKDRGSK3AGSK3B
SCHEMBL3619436 0.88 AURKA (0.43) AURKBAURKAKDRGSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130225809-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2013-08-29 US disclosed
US-20130225809-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2013-08-29 US disclosed
US-8338595-B2 Pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-12-25 US disclosed
US-8338595-B2 Pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-12-25 US disclosed
EP-1765823-B1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER PHARMACEUTICALS CORP (US) 2010-03-31 EP disclosed
US-20100075958-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER PHARMACEUTICALS CORPORATION (US) 2010-03-25 US disclosed
US-20100075958-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER PHARMACEUTICALS CORPORATION (US) 2010-03-25 US disclosed
US-7563791-B2 6-(Methoxymethyl)-5-(4-nitrophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine; antiproliferative agents; angiogenesis inhibition; anticarcinogenic agents; breast cancer; colon cancer; antitumor agents BAYER PHARMACEUTICALS CORPORATION (US) 2009-07-21 US disclosed
US-7563791-B2 6-(Methoxymethyl)-5-(4-nitrophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine; antiproliferative agents; angiogenesis inhibition; anticarcinogenic agents; breast cancer; colon cancer; antitumor agents BAYER PHARMACEUTICALS CORPORATION (US) 2009-07-21 US disclosed
US-20070208013-A1 6-(Methoxymethyl)-5-(4-nitrophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine; antiproliferative agents; angiogenesis inhibition; anticarcinogenic agents; breast cancer; colon cancer; antitumor agents BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-06 US disclosed
US-20070208013-A1 6-(Methoxymethyl)-5-(4-nitrophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine; antiproliferative agents; angiogenesis inhibition; anticarcinogenic agents; breast cancer; colon cancer; antitumor agents BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-06 US disclosed
EP-1765823-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS Bayer Pharmaceuticals Corporation (US) 2007-03-28 EP disclosed
WO-2005121147-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER PHARMACEUTICALS CORPORATION (US) 2005-12-22 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 (3 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-20100075958-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS MKI67, TK2, CDK4 AURKB 2267/4885AURKA 1525/4885KDR 85/4885
US-20130225809-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS MKI67, TK2, CDK4 AURKB 2267/4885AURKA 1525/4885KDR 85/4885
US-20070208013-A1 6-(Methoxymethyl)-5-(4-nitrophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine; antiproliferative agents; angiogenesis inhibition; anticarcinogenic agents; breast cancer; colon cancer; antitumor agents MKI67, CCNA1, CCNI AURKB 1447/4885AURKA 510/4885KDR 80/4885

“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.