SCHEMBL3603266

SCHEMBL3603266

CCc1n[nH]c2cc(C(=O)OC)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 2/20 0.52
KIF11 P52732 1/20 0.50
NPC1 O15118 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
PARP1 P09874 3/20 0.47
DYRK1A Q13627 1/20 0.46
RAB9A P51151 1/20 0.46
CSNK2A1 P68400 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
ATM Q13315 1/20 0.44
KDM4E B2RXH2 3/20 0.43
PKM P14618 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CHEK1 O14757 1/20 0.43

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
SCHEMBL4899295 0.89 MEN1 (0.50) MAP2K4KIF11NPC1KMT2AMEN1
SCHEMBL15687608 0.87 MAP2K4 (0.51) MAP2K4KIF11NPC1KMT2AMEN1
SCHEMBL15687283 0.87 MAP2K4 (0.48) MAP2K4KIF11NPC1KMT2AMEN1
SCHEMBL15687750 0.84 MAP2K4 (0.48) MAP2K4KIF11NPC1KMT2AMEN1
SCHEMBL3603415 0.84 KMT2A (0.50) MAP2K4NPC1KMT2AMEN1PARP1
SCHEMBL3604450 0.84 PRKAB2 (0.42) MAP2K4KIF11DYRK1AALDH1A1HPGD
SCHEMBL19329007 0.83 MAPK1 (0.53) KMT2AMEN1PARP1RAB9ACSNK2A1
SCHEMBL28818149 0.83 KMT2A (0.47) MAP2K4KIF11NPC1KMT2AMEN1
SCHEMBL3598894 0.83 TRPA1 (0.50) MAP2K4KDM4EALDH1A1GLAGAA
SCHEMBL3598899 0.81 JAK1 (0.38) MAP2K4CHEK1

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1422849-A indazole derivatives PFIZER (US) 2003-06-11 CN claimed
WO-2018234353-A1 NOVEL SUBSTITUTED INDOLE AND INDAZOLE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS Grünenthal GmbH (DE) 2018-12-27 WO disclosed
US-7723348-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-05-25 US disclosed
US-20090221661-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2009-09-03 US disclosed
US-7495017-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2009-02-24 US disclosed
US-7432266-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2008-10-07 US disclosed
US-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2008-08-28 US disclosed
WO-2007123953-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2007-11-01 WO disclosed
US-20070254913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-01 US disclosed
US-20070203197-A1 Phosphodiesterase 4 inhibitors HOPPER ALLEN 2007-08-30 US disclosed
EP-0931075-A1 INDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF PHOSPHODIESTERASE (PDE) TYPE IV AND THE PRODUCTION OF TUMOR NECROSIS FACTOR (TNF) PFIZER INC. (US) 1999-07-28 EP disclosed
CN-1217714-A Substituted indazole derivatives and their use as Phosphodiesterase (PDE) type IV and inhibitors of the production of Tumor Necrosis Factor (TNF) PFIZER (US) 1999-05-26 CN disclosed
WO-1999023077-A1 INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN THERAPEUTICALLY ACTIVE COMPOUNDS PFIZER PRODUCTS INC. (US) 1999-05-14 WO disclosed
WO-1999023076-A1 THERAPEUTICALLY ACTIVE COMPOUNDS BASED ON INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN PDE4 INHIBITORS PFIZER PRODUCTS INC. (US) 1999-05-14 WO disclosed
EP-0912521-A1 SUBSTITUTED INDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS PHOSPHODIESTERASE (PDE) TYPE IV AND THE PRODUCTION OF TUMOR NECROSIS FACTOR (TNF) PFIZER INC. (US) 1999-05-06 EP disclosed
EP-0912558-A1 SUBSTITUTED INDAZOLE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE (PDE) TYPE IV AND TUMOR NECROSIS FACTOR (TNF) INHIBITORS PFIZER INC. (US) 1999-05-06 EP disclosed
WO-1998009961-A1 INDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF PHOSPHODIESTERASE (PDE) TYPE IV AND THE PRODUCTION OF TUMOR NECROSIS FACTOR (TNF) PFIZER INC. (US) 1998-03-12 WO disclosed
EP-0816357-A1 Substituted indazole derivatives PFIZER INC. (US) 1998-01-07 EP disclosed
WO-1997049702-A1 SUBSTITUTED INDAZOLE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE (PDE) TYPE IV AND TUMOR NECROSIS FACTOR (TNF) INHIBITORS PFIZER INC. (US) 1997-12-31 WO disclosed
WO-1997042174-A1 SUBSTITUTED INDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS PHOSPHODIESTERASE (PDE) TYPE IV AND THE PRODUCTION OF TUMOR NECROSIS FACTOR (TNF) PFIZER INC. (US) 1997-11-13 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 (4 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-20070254913-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 MAP2K4 778/4885KIF11 3340/4885NPC1 4728/4885
US-20070203197-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 MAP2K4 778/4885KIF11 3340/4885NPC1 4728/4885
US-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE12 MAP2K4 778/4885KIF11 3340/4885NPC1 4728/4885
US-20090221661-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE12 MAP2K4 778/4885KIF11 3340/4885NPC1 4728/4885

“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.