SCHEMBL1885065

SCHEMBL1885065

Cn1c(=O)ccc2cnn(C(C)(C)C)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 2/20 0.38
CA12 O43570 1/20 0.38
BRD4 O60885 1/20 0.38
CA9 Q16790 1/20 0.38
KAT2B Q92831 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
PDE1C Q14123 1/20 0.34
CDK4 P11802 2/20 0.33
CCND1 P24385 2/20 0.33
CCND2 P30279 2/20 0.33
CCND3 P30281 2/20 0.33
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
GALR3 O60755 1/20 0.30
NR2F2 P24468 1/20 0.30
GPR183 P32249 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3669160 0.66 MAPK14 (0.45) BRPF1CA12BRD4CA9KAT2B
SCHEMBL14012593 0.66 TSHR (0.39) LMNASMN1; SMN2MEN1NPC1GALR3
SCHEMBL25885476 0.63 SMN1; SMN2 (0.48) LMNASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL10233349 0.63 NPC1 (0.47) CA12CA9LMNASMN1; SMN2MEN1
SCHEMBL26155648 0.61 CYP1A2 (0.40) PDE1CLMNASMN1; SMN2MEN1NPC1
SCHEMBL25696305 0.61 KMO (0.45) LMNASMN1; SMN2MEN1KMT2A
SCHEMBL26597002 0.61 CYP17A1 (0.34) PDE1CLMNASMN1; SMN2
SCHEMBL24246582 0.61 LMNA (0.33) LMNASMN1; SMN2MEN1KMT2A
SCHEMBL10050859 0.61 RECQL (0.43) LMNASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL1356214 0.61 BRPF1 (0.53) BRPF1CA12BRD4CA9KAT2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8435987-B2 Pyrazolo-pyridinone and pyrazolo-pyrazinone compounds as P38 modulators and methods of use thereof AMGEN INC. (US) 2013-05-07 US disclosed
US-20110294805-A1 PYRAZOLO-PYRIDINONE AND PYRAZOLO-PYRAZINONE COMPOUNDS AS P38 MODULATORS AND METHODS OF USE THEREOF AMGEN INC. (US) 2011-12-01 US disclosed
US-8022085-B2 Pyrazolo-pyridinone and pyrazolo-pyrazinone compounds as P38 modulators and methods of use thereof AMGEN INC. (US) 2011-09-20 US disclosed
US-20110105498-A1 Pyrazolo-pyridinone and pyrazolo-pyrazinone compounds as P38 modulators and methods of use thereof AMGEN INC. (US) 2011-05-05 US disclosed
US-7846944-B2 Pyrazolo-pyridinone compounds and methods of use thereof AMGEN INC. (US) 2010-12-07 US disclosed
EP-2152706-A1 PYRAZOLO-PYRIDINONE AND PYRAZOLO-PYRAZINONE COMPOUNDS AS P38 MODULATORS, PROCESS FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE Amgen Inc. (US) 2010-02-17 EP disclosed
EP-2152704-A1 PYRAZOLO-PYRIDINONE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE Amgen, Inc (US) 2010-02-17 EP disclosed
US-20090012299-A1 Pyrazolo-pyridinone compounds and methods of use thereof AMGEN INC. (US) 2009-01-08 US disclosed
WO-2008137176-A1 PYRAZOLO-PYRIDINONE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE AMGEN INC. (US) 2008-11-13 WO disclosed
WO-2008136948-A1 PYRAZOLO-PYRIDINONE AND PYRAZOLO-PYRAZINONE COMPOUNDS AS P38 MODULATORS, PROCESS FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE AMGEN INC. (US) 2008-11-13 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 (3 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-20110294805-A1 PYRAZOLO-PYRIDINONE AND PYRAZOLO-PYRAZINONE COMPOUNDS AS P38 MODULATORS AND METHODS OF USE THEREOF MAPK1, MAP4K2, MAP3K1 BRPF1 1050/4885CA12 4847/4885BRD4 1096/4885
US-20090012299-A1 Pyrazolo-pyridinone compounds and methods of use thereof MAPK1, MAP3K1, MAP4K2 BRPF1 1398/4885CA12 4805/4885BRD4 1022/4885
US-20110105498-A1 Pyrazolo-pyridinone and pyrazolo-pyrazinone compounds as P38 modulators and methods of use thereof MAPK1, MAP4K2, MAP3K1 BRPF1 1050/4885CA12 4847/4885BRD4 1096/4885

“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.