SCHEMBL5534211

SCHEMBL5534211

c1ccc(COc2ccccc2-c2cnc3[nH]nc(-c4ccc[nH]4)c3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.45
BRD4 O60885 2/20 0.41
MCL1 Q07820 1/20 0.39
AKT1 P31749 2/20 0.39
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
DHODH Q02127 1/20 0.38
PTGER1 P34995 6/20 0.37
PTGER4 P35408 2/20 0.36
PTGER3 P43115 2/20 0.36
PTGER2 P43116 2/20 0.36
CAMKK2 Q96RR4 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 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
SCHEMBL5539363 0.85 CAMKK2 (0.50) BRD4AKT1CAMKK2
SCHEMBL5542634 0.84 PRMT5 (0.45) MCL1AKT1DHODH
SCHEMBL5533779 0.83 DYRK1B (0.43) AKT1DHODH
SCHEMBL5537386 0.83 AXL (0.45) CAMKK2
SCHEMBL5537040 0.79 GSK3B (0.49) CAMKK2
SCHEMBL5534996 0.78 GSK3B (0.48) CAMKK2
SCHEMBL5536743 0.76 GSK3B (0.46) AKT1
SCHEMBL5539669 0.75 MAP4K1 (0.41) AKT1CAMKK2
SCHEMBL11251911 0.74 IDO1 (0.61) IDO1BRD4MCL1ADRA1DADRA1A
SCHEMBL5532750 0.73 ALOX5 (0.40) AKT1

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
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-20040092546-A1 3-Pyrrol-pyridopyrazoles and 3-pyrrolyl-indazoles as novel kinase inhibitors SUGEN, INC. 2004-05-13 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 (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 IDO1 1267/4885BRD4 778/4885MCL1 387/4885

“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.