SCHEMBL5536725

SCHEMBL5536725

CNC(N)=O.O=C(O)c1c[nH]c(-c2n[nH]c3ncccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 2/20 0.41
MAP2K4 P45985 4/20 0.37
MAPK1 P28482 2/20 0.37
MAPKAPK3 Q16644 2/20 0.37
MAPK6 Q16659 2/20 0.37
MAP2K1 Q02750 1/20 0.36
ITK Q08881 1/20 0.35
NOTUM Q6P988 1/20 0.35
PIM1 P11309 1/20 0.35
CDC7 O00311 1/20 0.34
RIPK1 Q13546 2/20 0.34
KDR P35968 3/20 0.34
FLT1 P17948 2/20 0.34
ROCK1 Q13464 1/20 0.34
NEK2 P51955 1/20 0.34
TTK P33981 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL5536781 0.92 CAMKK2 (0.47) CAMKK2MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL5539335 0.86 CAMKK2 (0.48) CAMKK2MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL21802596 0.81 MAP2K1 (0.50) MAP2K4MAPK1MAP2K1KDRMAPT
SCHEMBL5541202 0.81 CAMKK2 (0.39) CAMKK2MAPK1ITKPIM1CDC7
SCHEMBL5538994 0.79 ROCK1 (0.47) ITKCDC7KDRROCK1
SCHEMBL5533791 0.78 KDM4E (0.46) MAP2K1MAPT
SCHEMBL5537482 0.77 ADORA2A (0.52) MAPK1ITKCDC7ROCK1TTK
SCHEMBL5531182 0.76 MAPK7 (0.47) CAMKK2PIM1CDC7ROCK1
SCHEMBL22044552 0.76 RIPK1 (0.52) RIPK1KDRROCK1
SCHEMBL22043990 0.76 TRPV1 (0.47) ITKROCK1MAPT

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 6 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-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 (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-20040092546-A1 3-Pyrrol-pyridopyrazoles and 3-pyrrolyl-indazoles as novel kinase inhibitors MAP3K19, MAP3K1, MAP3K7 CAMKK2 262/4885MAP2K4 286/4885MAPK1 24/4885

“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.