SCHEMBL3603415

SCHEMBL3603415

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MAP2K4 P45985 7/20 0.47
MAPK1 P28482 4/20 0.47
MAPK6 Q16659 4/20 0.47
SLC22A12 Q96S37 2/20 0.45
MAPKAPK5 Q8IW41 1/20 0.44
TTR P02766 1/20 0.44
MAPKAPK3 Q16644 2/20 0.43
DYRK1A Q13627 1/20 0.43
ITK Q08881 1/20 0.42
HSP90AA1 P07900 1/20 0.42
ESR2 Q92731 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL1144846 0.88 MAP2K4 (0.50) KMT2AMEN1NPC1RAB9AMAP2K4
SCHEMBL3604450 0.88 PRKAB2 (0.42) MAP2K4MAPK1MAPK6DYRK1AHSP90AA1
SCHEMBL3603266 0.84 MAP2K4 (0.52) KMT2AMEN1NPC1RAB9AMAP2K4
SCHEMBL19328981 0.82 PARP1 (0.48) KMT2AMEN1NPC1RAB9ATTR
SCHEMBL14362872 0.81 ITK (0.41) ITKHSP90AA1PARP1CHEK1
SCHEMBL3598899 0.79 JAK1 (0.38) MAP2K4ITKHSP90AA1CHEK1KDR
SCHEMBL27381558 0.79 HPGD (0.47) KMT2AMEN1SLC22A12TDP1ALDH1A1
SCHEMBL1144879 0.79 DYRK1A (0.52) KMT2AMEN1MAP2K4MAPK1MAPK6
SCHEMBL31746650 0.79 DYRK1A (0.52) KMT2AMEN1MAP2K4MAPK1MAPK6
SCHEMBL3598894 0.78 TRPA1 (0.50) MAP2K4MAPK1ITKALDH1A1KDM4E

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 55 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
EP-1637527-B1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL (JP) 2013-04-17 EP disclosed
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-23 US 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-7507841-B2 Carbamoylamino-substituted 2,3-dihydro-benzofurans, indoles and benzothiophenes, e.g., (+)-N-((3R)-3-(4-isopropylphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)-3,3-dimethylbutanamide; cerebrovascular disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-24 US disclosed
US-7495017-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2009-02-24 US disclosed
US-20090023800-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-01-22 US disclosed
US-7465815-B2 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-16 US disclosed
US-7432266-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2008-10-07 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-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
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
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 (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-20100240743-A1 CANNABINOID RECEPTOR MODULATOR CNR1, CNR2, GPR18 KMT2A 1061/4885MEN1 3532/4885NPC1 1481/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KMT2A 1061/4885MEN1 3532/4885NPC1 1481/4885
US-20090221661-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE12 KMT2A 1669/4885MEN1 4070/4885NPC1 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.