SCHEMBL327876

SCHEMBL327876

CCOC(=O)c1c[nH]c(C#N)c1-c1ccc(N=O)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.39
NPC1 O15118 2/20 0.39
ATM Q13315 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 3/20 0.37
GLA P06280 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
JAK3 P52333 5/20 0.36
JAK2 O60674 2/20 0.36

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
SCHEMBL742641 0.85 JAK3 (0.42) L3MBTL1NPC1ATMMEN1KMT2A
SCHEMBL13462339 0.83 NPC1 (0.37) L3MBTL1NPC1ATMMEN1KMT2A
SCHEMBL328064 0.83 JAK3 (0.38) L3MBTL1NPC1ATMMEN1KMT2A
SCHEMBL328009 0.82 ALDH1A1 (0.39) ATMMEN1KMT2AKDM4EGLA
SCHEMBL276542 0.81 ALDH1A1 (0.39) L3MBTL1NPC1ATMMEN1KMT2A
SCHEMBL13462389 0.78 NPC1 (0.41) L3MBTL1NPC1ATMMEN1KMT2A
SCHEMBL276366 0.77 CYP17A1 (0.43) L3MBTL1NPC1ATMMEN1KMT2A
SCHEMBL14494609 0.77 JAK2 (0.53) NPC1ATMMEN1KMT2AKDM4E
SCHEMBL4045580 0.77 ALDH1A1 (0.52) L3MBTL1NPC1KDM4EALDH1A1MAPT
SCHEMBL276059 0.73 AR (0.56) MEN1KMT2APOLBMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8133995-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-13 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-20090281079-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated With Angiogenesis BAYER HEALTHCARE LLV (US) 2009-11-12 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

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-20100075958-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS MKI67, TK2, CDK4 L3MBTL1 4182/4885NPC1 3652/4885ATM 3414/4885
US-20090281079-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated With Angiogenesis CDK4, FLT4, CDKL4 L3MBTL1 3539/4885NPC1 4409/4885ATM 2288/4885

“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.