SCHEMBL2662677

SCHEMBL2662677

Nc1n[nH]c2cc(C(F)(F)F)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.56
PDPK1 O15530 4/20 0.55
JAK2 O60674 2/20 0.55
KIF11 P52732 4/20 0.54
MAP2K4 P45985 2/20 0.52
MAPK1 P28482 1/20 0.52
MAPK6 Q16659 1/20 0.52
MAPKAPK5 Q8IW41 1/20 0.52
SGK1 O00141 1/20 0.52
PLK4 O00444 1/20 0.51
AURKA O14965 1/20 0.51
ROCK2 O75116 1/20 0.51
CHEK2 O96017 1/20 0.51
EGFR P00533 1/20 0.51
NTRK1 P04629 1/20 0.51
LCK P06239 1/20 0.51
FYN P06241 1/20 0.51
CSF1R P07333 1/20 0.51
LYN P07948 1/20 0.51
KIT P10721 1/20 0.51

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
SCHEMBL12907202 0.86 PDPK1 (0.69) TRPA1PDPK1JAK2SGK1PLK4
SCHEMBL2409215 0.85 MAP2K4 (0.58) TRPA1PDPK1JAK2KIF11MAP2K4
SCHEMBL12907194 0.82 PDPK1 (0.66) TRPA1PDPK1JAK2SGK1PLK4
SCHEMBL84515 0.81 PDPK1 (0.55) PDPK1JAK2KIF11PLK4AURKA
SCHEMBL25279396 0.80 TRPA1 (0.55) TRPA1KIF11MAP2K4MAPK1MAPK6
SCHEMBL13122227 0.80 TRPA1 (0.55) TRPA1KIF11MAP2K4MAPK1MAPK6
SCHEMBL1513093 0.80 TRPA1 (0.55) TRPA1KIF11MAP2K4MAPK1MAPK6
SCHEMBL30586177 0.80 TRPA1 (0.55) TRPA1KIF11MAP2K4MAPK1MAPK6
SCHEMBL30481233 0.80 TRPA1 (0.55) TRPA1KIF11MAP2K4MAPK1MAPK6
SCHEMBL10220256 0.77 KIF11 (0.56) TRPA1KIF11MAP2K4MAPK1MAPK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101962365-A Aminoindazole derivatives as protein-kinase inhibitors AVENTIS PHARMA SA 2011-02-02 CN claimed
CN-1656078-A Aminoindazole derivatives as protein kinase inhibitors AVENTIS PHARMA SA (FR) 2005-08-17 CN claimed
US-20040014802-A1 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2004-01-22 US claimed
US-RE28939-E MUSCLE RELAXANTS, ANALGESICS SMITHKLINE CORPORATION (US) 1976-08-24 US claimed
US-10668071-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-06-02 US disclosed
EP-3066100-B1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AS INHIBITORS OF FIBRINOLYSIS Bayer Pharma AG (DE) 2019-04-17 EP disclosed
US-20180344739-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-12-06 US disclosed
US-10098883-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-10-16 US disclosed
CN-105683194-B The inhibitor of (azepine) pyrido PyrazolopyrimidinonecGMP and indazole hepyramine as fibrinolysis 拜耳制药股份公司 2018-09-14 CN disclosed
US-20170239251-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-24 US disclosed
US-9598417-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-03-21 US disclosed
EP-3066100-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AS INHIBITORS OF FIBRINOLYSIS Bayer Pharma Aktiengesellschaft (DE) 2016-09-14 EP disclosed
WO-2007075847-A2 GLUCOKINASE ACTIVATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 WO disclosed
US-6949579-B2 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2005-09-27 US disclosed
CN-1656078-A Aminoindazole derivatives as protein kinase inhibitors AVENTIS PHARMA SA (FR) 2005-08-17 CN disclosed
EP-1487804-A2 AMINOINDAZOLE DERIVATIVES AS PROTEIN-KINASE INHIBITORS Aventis Pharma S.A. (FR) 2004-12-22 EP disclosed
US-20040014802-A1 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2004-01-22 US disclosed
WO-2003078403-A2 DERIVES D’AMINOINDAZOLES COMME INHIBITEURS DE PROTEINE-KINASE AVENTIS PHARMA S.A. (FR) 2003-09-25 WO disclosed
US-4051252-A ANALGESIC, ANTIINFLAMMATORY, ANTIPYRETIC BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 US disclosed
US-RE28939-E MUSCLE RELAXANTS, ANALGESICS SMITHKLINE CORPORATION (US) 1976-08-24 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 (5 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-20040014802-A1 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof CYP2C8, NR0B2, NR2C2 TRPA1 2652/4885PDPK1 4495/4885JAK2 1774/4885
US-20180344739-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AND THEIR USE SERPINB6, SERPINC1, SERPINE1 TRPA1 3873/4885PDPK1 1304/4885JAK2 167/4885
US-10668071-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use SERPINB6, SERPINC1, SERPINE1 TRPA1 3873/4885PDPK1 1304/4885JAK2 167/4885
US-20170239251-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AND THEIR USE SERPINB6, SERPINC1, SERPINE1 TRPA1 3873/4885PDPK1 1304/4885JAK2 167/4885
US-10098883-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use SERPINB6, SERPINC1, SERPINE1 TRPA1 3873/4885PDPK1 1304/4885JAK2 167/4885

“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.