SCHEMBL5534980

SCHEMBL5534980

O=C(NCCc1ccccc1)c1c[nH]c(-c2n[nH]c3ncccc23)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 1/20 0.52
MAPK1 P28482 1/20 0.52
RAB9A P51151 6/20 0.49
NPC1 O15118 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 1/20 0.47
KDM5B Q9UGL1 2/20 0.46
KDM4E B2RXH2 1/20 0.46
KDM5A P29375 1/20 0.46
KDM5C P41229 1/20 0.46
HTT P42858 1/20 0.43
EPHX2 P34913 1/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC3 O15379 1/20 0.42

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
SCHEMBL22044137 0.91 NPC1 (0.48) MAPK3MAPK1RAB9ANPC1SMN1; SMN2
SCHEMBL22044070 0.91 MAPT (0.52) MAPK3MAPK1RAB9ANPC1SMN1; SMN2
SCHEMBL5537482 0.91 ADORA2A (0.52) MAPK3MAPK1SMN1; SMN2ALDH1A1HTT
SCHEMBL5541202 0.84 CAMKK2 (0.39) MAPK3MAPK1MEN1KMT2AALDH1A1
SCHEMBL22044077 0.82 KDM4E (0.51) MAPK1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL22044004 0.82 ADORA2A (0.43) MAPK3MAPK1ALDH1A1HTTHDAC1
SCHEMBL22044085 0.82 ROCK2 (0.47) MAPK3MAPK1KDM5BKDM5AHTT
SCHEMBL22044554 0.82 MAPK1 (0.55) MAPK3MAPK1RAB9ANPC1SMN1; SMN2
SCHEMBL22044073 0.82 POLB (0.47) MAPK3MAPK1NPC1MEN1KMT2A
SCHEMBL22044009 0.82 MMP13 (0.47) MAPK3MAPK1NPC1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186716-B2 3-Pyrrol-pyridopyrazoles and 3-pyrrolyl-indazoles as novel kinase inhibitors SUGEN, INC. (US) 2007-03-06 US claimed
US-20040092546-A1 3-Pyrrol-pyridopyrazoles and 3-pyrrolyl-indazoles as novel kinase inhibitors SUGEN, INC. 2004-05-13 US claimed
US-20200172521-A1 Five-Membered-Fused-Six-Membered Aza-Aromatic Ring Compound, Preparation Method Thereof, Pharmaceutical Composition And Application Thereof Amcure Biosciences Pte. Ltd. (SG) 2020-06-04 US disclosed
US-7186716-B2 3-Pyrrol-pyridopyrazoles and 3-pyrrolyl-indazoles as novel kinase inhibitors SUGEN, INC. (US) 2007-03-06 US disclosed
US-7186716-B2 3-Pyrrol-pyridopyrazoles and 3-pyrrolyl-indazoles as novel kinase inhibitors SUGEN, INC. (US) 2007-03-06 US disclosed
US-7186716-B2 3-Pyrrol-pyridopyrazoles and 3-pyrrolyl-indazoles as novel kinase inhibitors SUGEN, INC. (US) 2007-03-06 US disclosed
EP-1545515-A1 3-PYRROLYL-PYRIDOPYRAZOLES AND 3-PYRROLYL-INDAZOLES AS NOVEL KINASE INHIBITORS Sugen, Inc. (US) 2005-06-29 EP disclosed
US-20040092546-A1 3-Pyrrol-pyridopyrazoles and 3-pyrrolyl-indazoles as novel kinase inhibitors SUGEN, INC. 2004-05-13 US disclosed
WO-2004014368-A1 3-PYRROLYL-PYRIDOPYRAZOLES AND 3-PYRROLYL-INDAZOLES AS NOVEL KINASE INHIBITORS SUGEN, INC. (US) 2004-02-19 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 (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-20040092546-A1 3-Pyrrol-pyridopyrazoles and 3-pyrrolyl-indazoles as novel kinase inhibitors MAP3K19, MAP3K1, MAP3K7 MAPK3 42/4885MAPK1 24/4885RAB9A 1207/4885
US-20200172521-A1 Five-Membered-Fused-Six-Membered Aza-Aromatic Ring Compound, Preparation Method Thereof, Pharmaceutical Composition And Application Thereof KRAS, NRAS, RASSF5 MAPK3 1726/4885MAPK1 3146/4885RAB9A 51/4885

“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.