SCHEMBL5380089

SCHEMBL5380089

Clc1ccccc1-c1cn[nH]c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.55
AKT2 P31751 1/20 0.55
TRPA1 O75762 1/20 0.51
CYP2A6 P11509 1/20 0.50
IDO1 P14902 1/20 0.48
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
PDK2 Q15119 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.43
FEN1 P39748 1/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
ROCK2 O75116 6/20 0.41
ROCK1 Q13464 6/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
ILK Q13418 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
SCHEMBL17276748 0.91 AKT2 (0.60) AKT1AKT2TRPA1CYP2A6IDO1
SCHEMBL14062091 0.82 AKT1 (0.46) AKT1AKT2TRPA1CYP2A6IDO1
SCHEMBL21451423 0.82 IDO1 (0.53) AKT1AKT2IDO1POLBKMT2A
SCHEMBL21142528 0.79 AKT2 (0.50) AKT1AKT2TRPA1PDK2FEN1
SCHEMBL30823568 0.79 AKT2 (0.59) AKT1AKT2PDK2FEN1ROCK2
SCHEMBL30823569 0.79 AKT2 (0.59) AKT1AKT2PDK2FEN1ROCK2
SCHEMBL28552255 0.79 AKT2 (0.72) AKT1AKT2PDK2FEN1ROCK2
SCHEMBL27936430 0.78 AKT2 (0.52) AKT1AKT2PDK2IRAK4JAK2
SCHEMBL19398632 0.77 AHR (0.50) AKT1AKT2ROCK2ROCK1
SCHEMBL20114469 0.76 AKT2 (0.55) AKT1AKT2IDO1PDK2FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003051906-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-06-26 WO claimed
EP-3495359-A1 FLAP MODULATORS Janssen Pharmaceutica NV (BE) 2019-06-12 EP disclosed
EP-3495359-A1 FLAP MODULATORS Janssen Pharmaceutica NV (BE) 2019-06-12 EP disclosed
EP-3070085-B1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-01-09 EP disclosed
EP-3070085-B1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-01-09 EP disclosed
EP-2951170-B1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-10-24 EP disclosed
US-9745328-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2017-08-29 US disclosed
US-9745328-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2017-08-29 US disclosed
US-9745328-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2017-08-29 US disclosed
EP-3070085-A1 FLAP MODULATORS Janssen Pharmaceutica N.V. (BE) 2016-09-21 EP disclosed
EP-1542999-A1 1H-PYRAZOLE AND 1H-PYRROLE-AZABICYCLIC COMPOUNDS WITH ALFA-7 NACHR ACTIVITY Pharmacia & Upjohn Company LLC (US) 2005-06-22 EP disclosed
US-20050107425-A1 Treatment of attention defecit hyperactivity disorder PFIZER INC 2005-05-19 US disclosed
WO-2004064836-A2 TREATMENT OF DISEASES WITH ALPHA-7 NACH RECEPTOR FULL AGONISTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-08-05 WO disclosed
WO-2004052461-A1 COMBINATION FOR THE TREATMENT OF ADHD PHARMACIA & UPJOHN COMPANY LLC (US) 2004-06-24 WO disclosed
WO-2004052461-A1 COMBINATION FOR THE TREATMENT OF ADHD PHARMACIA & UPJOHN COMPANY LLC (US) 2004-06-24 WO disclosed
WO-2004052348-A2 TREATMENT OF DISEASES WITH COMBINATIONS OF ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS AND OTHER COMPOUNDS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-06-24 WO disclosed
WO-2004039366-A1 NICOTINIC ACETYLCHOLINE AGONISTS IN THE TREATMENT OF GLAUCOMA AND RETINAL NEUROPATHY PHARMACIA & UPJOHN COMPANY LLC (US) 2004-05-13 WO disclosed
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease PIOTROWSKI DAVID W (US) 2004-05-06 US disclosed
WO-2004013137-A1 1H-PYRAZOLE AND 1H-PYRROLE-AZABICYCLIC COMPOUNDS WITH ALFA-7 NACHR ACTIVITY PHARMACIA & UPJOHN COMPANY LLC (US) 2004-02-12 WO disclosed
WO-2003051906-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-06-26 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 (2 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-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 AKT1 3201/4885AKT2 2802/4885TRPA1 4155/4885
US-20050107425-A1 Treatment of attention defecit hyperactivity disorder CHRNA7, CHRNA10, SLC18A3 AKT1 4516/4885AKT2 4495/4885TRPA1 949/4885

“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.