SCHEMBL589762

SCHEMBL589762

CC1CCC(C(C)C)C(N(c2ccncc2)C2CC(C)CCC2C(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.45
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TRPM8 Q7Z2W7 4/20 0.39
TRPA1 O75762 2/20 0.39
KCNA5 P22460 1/20 0.38
LMNA P02545 3/20 0.35
TRPV1 Q8NER1 2/20 0.35
EPHX1 P07099 1/20 0.34
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL10949151 0.84 KCNA5 (0.49) ALDH1A1MEN1KMT2AKDM4ETRPM8
SCHEMBL2481928 0.83 TRPM8 (0.40) CYP19A1ALDH1A1TRPM8TRPA1KCNA5
SCHEMBL5182007 0.82 TRPM8 (0.39) CYP19A1ALDH1A1TRPM8TRPA1KCNA5
SCHEMBL6235069 0.82 TRPM8 (0.39) CYP19A1ALDH1A1TRPM8TRPA1KCNA5
SCHEMBL1903958 0.79 KCNA5 (0.39) CYP19A1ALDH1A1TRPM8TRPA1KCNA5
SCHEMBL8470258 0.78 KCNA5 (0.38) CYP19A1ALDH1A1TRPM8TRPA1KCNA5
SCHEMBL31752406 0.77 TRPM8 (0.46) ALDH1A1TRPM8TRPA1KCNA5TRPV1
SCHEMBL10363050 0.76 KCNA5 (0.42) ALDH1A1MEN1KMT2AKDM4ETRPM8
SCHEMBL10363049 0.76 KCNA5 (0.42) ALDH1A1MEN1KMT2AKDM4ETRPM8
SCHEMBL5118235 0.75 ALDH1A1 (0.42) CYP19A1ALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0598383-B1 Process for the preparation of 5,6-diacetoxyindole BRISTOL MYERS SQUIBB CO (US) 1999-02-03 EP claimed
JP-55045629-A None JP disclosed
US-8722881-B2 Method of synthesis of tetradentate amide macrocycle ligand and its metal-complex BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2014-05-13 US disclosed
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed
US-20110094043-A1 Method of synthesis of tetradentate amide macrocycle ligand and its metal-complex BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS 2011-04-28 US disclosed
EP-2012759-B1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2010-03-10 EP disclosed
EP-1841768-B1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2008-11-12 EP disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 US disclosed
EP-1841768-A1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS Novartis AG (CH) 2007-10-10 EP disclosed
US-7220771-B2 Methods of using indazole derivatives as JNK inhibitors SIGNAL PHARMACEUTICALS, LLC (US) 2007-05-22 US disclosed
US-20040127536-A1 Methods for treating an inflammatory condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC 2004-07-01 US disclosed
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, INC. 2004-04-22 US disclosed
EP-1313711-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, INC. (US) 2003-05-28 EP disclosed
WO-2002010137-A9 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARM INC (US) 2003-02-06 WO disclosed
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC 2002-08-01 US disclosed
WO-2002010137-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, INC. (US) 2002-02-07 WO disclosed
US-5527900-A VIRICIDES; ANTI-HTLV ACTIVITY STITCHING REGA VZW (BE) 1996-06-18 US disclosed
US-5026625-A Photoinitiators for polymerization of ethylenically unsaturated compounds CIBA-GEIGY CORPORATION (US) 1991-06-25 US disclosed
EP-0222192-A2 Nucleosides of 5-monofluoromethyluracil and 5-difluoromethyluracil Sloan-Kettering Institute For Cancer Research (US) 1987-05-20 EP disclosed
JP-S5545629-A PREPARATION OF 4-AMINOPYRIDINE NIPPON SODA CO LTD 1980-03-31 JP 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-20040127536-A1 Methods for treating an inflammatory condition or inhibiting JNK MAPK1, MAP3K1, MAPKAPK2 CYP19A1 3556/4885ALDH1A1 2112/4885MEN1 4812/4885
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 CYP19A1 1781/4885ALDH1A1 2864/4885MEN1 4232/4885
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 CYP19A1 1781/4885ALDH1A1 2864/4885MEN1 4232/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 CYP19A1 1271/4885ALDH1A1 201/4885MEN1 3872/4885

“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.