SCHEMBL3620355

SCHEMBL3620355

N#Cc1cn2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(OC(F)(F)F)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.45
AURKB Q96GD4 6/20 0.45
FLT3 P36888 5/20 0.45
NTRK1 P04629 3/20 0.45
LCK P06239 3/20 0.45
LYN P07948 3/20 0.45
MARK3 P27448 3/20 0.45
GSK3B P49841 3/20 0.45
BLK P51451 3/20 0.45
RPS6KA3 P51812 3/20 0.45
STK3 Q13188 3/20 0.45
ROCK1 Q13464 3/20 0.45
NTRK2 Q16620 3/20 0.45
MARK2 Q7KZI7 3/20 0.45
FYN P06241 2/20 0.45
PIM1 P11309 2/20 0.45
MAPK9 P45984 2/20 0.45
GSK3A P49840 2/20 0.45
ERBB4 Q15303 2/20 0.45
IRAK4 Q9NWZ3 2/20 0.45

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
SCHEMBL14420667 0.87 KDR (0.54) KDRAURKBFLT3NTRK1LCK
SCHEMBL13437469 0.87 KDR (0.51) KDRAURKBFLT3NTRK1LCK
SCHEMBL28761007 0.86 KDR (0.45) KDRAURKBFLT3NTRK1LCK
SCHEMBL13463238 0.85 KDR (0.47) KDRAURKBFLT3NTRK1LCK
SCHEMBL3621931 0.84 AURKB (0.49) KDRAURKBFLT3NTRK1LCK
SCHEMBL3612230 0.83 AURKB (0.48) KDRAURKBFLT3NTRK1LCK
SCHEMBL3617942 0.83 KDR (0.47) KDRAURKBFLT3NTRK1LCK
SCHEMBL3607598 0.82 SMARCA2 (0.44) KDRAURKBFLT3NTRK1LCK
SCHEMBL3622501 0.82 RIPK1 (0.51) KDRAURKBFLT3NTRK1LCK
SCHEMBL275611 0.82 FLT1 (0.43) KDRAURKBFLT3NTRK1LCK

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 12 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
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-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 KDR 85/4885AURKB 2267/4885FLT3 623/4885
US-20130225809-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS MKI67, TK2, CDK4 KDR 85/4885AURKB 2267/4885FLT3 623/4885
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 KDR 80/4885AURKB 1447/4885FLT3 502/4885

“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.