SCHEMBL5536712

SCHEMBL5536712

COc1ccc(-c2cnc3[nH]nc(-c4ccc[nH]4)c3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIT P10721 4/20 0.46
DYRK1A Q13627 3/20 0.44
CCNT1 O60563 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CDK9 P50750 1/20 0.43
DYRK1B Q9Y463 3/20 0.42
MAP3K11 Q16584 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
LCK P06239 1/20 0.39
MAP4K3 Q8IVH8 1/20 0.39
MAP4K1 Q92918 1/20 0.39
MAPK1 P28482 1/20 0.39
AKT1 P31749 1/20 0.39

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
SCHEMBL5539669 0.87 MAP4K1 (0.41) MAP4K1AKT1
SCHEMBL5534996 0.86 GSK3B (0.48) KITDYRK1ACDK2DYRK1BMAP3K11
SCHEMBL5537040 0.85 GSK3B (0.49) CDK2MAP3K11
SCHEMBL5542634 0.83 PRMT5 (0.45) DYRK1ADYRK1BMAP4K1MAPK1AKT1
SCHEMBL5536743 0.81 GSK3B (0.46) DYRK1ACDK2MAP3K11LCKMAPK1
SCHEMBL5539202 0.80 KIT (0.46) KITCCNT1CCNA2CDK2CDK9
SCHEMBL5530500 0.77 GRIN1 (0.39) KITDYRK1AMAPK1AKT1
SCHEMBL5537386 0.77 AXL (0.45)
SCHEMBL29930898 0.77 DYRK1A (0.65) KITDYRK1ADYRK1BAAK1
SCHEMBL5533779 0.76 DYRK1B (0.43) DYRK1ADYRK1BMAPK1AKT1

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 8 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
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 (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 KIT 546/4885DYRK1A 516/4885CCNT1 254/4885

“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.